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Benzyl Alcohol, Phenyl Methanol, Hydroxytoluene, Hydroxymethyl Benzene, 100-51-6

Benzyl Alcohol, Phenyl Methanol, Hydroxytoluene, Hydroxymethyl Benzene, 100-51-6

BENZYL ALCOHOL

SECTION 1: PRODUCT IDENTITY AND CHEMICAL IDENTIFICATION

Parameter Information
Product Name Benzyl Alcohol
Chemical Name (IUPAC) Phenylmethanol
Common Names Benzyl Alcohol, Benzal Alcohol
Other Names Phenylmethyl alcohol, Hydroxytoluene, Hydroxymethyl benzene, Aromatic alcohol
CAS Number 100-51-6
EC Number (EINECS) 202-859-9
Molecular Formula C₇H₈O (C₆H₅CH₂OH)
Molecular Weight 108.14 g/mol
Chemical Class Aromatic primary alcohol
Appearance Colorless, clear liquid
Odor Slight, pleasant aromatic odor
Physical State (20°C) Liquid

Note: Benzyl alcohol is an aromatic primary alcohol containing a hydroxymethyl group (-CH₂OH) attached to a benzene ring. It occurs naturally in many plants, fruits, teas, and essential oils such as jasmine, hyacinth, and ylang-ylang, either free or esterified. Due to its polarity, low toxicity, and low vapor pressure, it is widely used as a versatile solvent, preservative, and chemical intermediate in pharmaceutical, cosmetic, and industrial applications. It also exhibits local anesthetic properties.

SECTION 2: CHEMICAL STRUCTURE

        H
         \
          C
         / \
        /   \
       /     \
      /       \
     /         \
    /           \
   /             \
  C               C
  |               |
  C               C
  |               |
  C——CH₂—OH      C
   \           /
    \         /
     \       /
      \     /
       \   /
        \ /
         C

    Benzyl Alcohol
    Phenylmethanol
    C₆H₅CH₂OH

Simplified Structure:

    C₆H₅ — CH₂OH

    Benzyl Alcohol
    Phenylmethanol
Parameter Description
Molecular Formula C₇H₈O (C₆H₅CH₂OH)
Molecular Weight 108.14 g/mol
Chemical Class Aromatic primary alcohol
Functional Groups Hydroxyl (-OH), Aromatic ring (benzene)
SMILES C1=CC=C(C=C1)CO
InChI InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
Rotatable Bond Count 1
Polar Surface Area (PSA) 20.2 Ų

SECTION 3: PHYSICAL AND CHEMICAL PROPERTIES

Property Value Test Method / Note
Appearance Colorless, clear liquid Visual
Odor Slight, pleasant aromatic Olfactometric
Molecular Weight 108.14 g/mol Calculated
Melting Point -15.2 °C DSC
Boiling Point 205.3 °C ASTM D86
Flash Point (Closed Cup) 93 °C ASTM D93
Autoignition Temperature 436 °C -
Density (20°C) 1.044 g/cm³ ASTM D4052
Vapor Pressure (20°C) 0.013 kPa (0.1 mmHg) -
Vapor Density (Air=1) 3.7 -
Water Solubility (20°C) ~4 g/100 mL (moderate) General Method
Organic Solvent Solubility Miscible with alcohol, ether, acetone, chloroform General Method
Viscosity (25°C) 5.5 mPa·s -
Refractive Index (n²⁰/D) 1.539 – 1.541 ASTM D1218
pH (Aqueous Solution) Neutral (~7) pH Meter
Vapor Pressure (25°C) 0.13 mmHg -
Dielectric Constant 13.1 -
Surface Tension 38.9 mN/m -
Specific Heat 2.0 J/g·K -

SECTION 4: STABILITY AND REACTIVITY

Parameter Information
Stability Stable under normal conditions. Slowly oxidizes to benzaldehyde upon exposure to air and light.
Incompatible Materials Strong oxidizing agents (nitric acid, hydrogen peroxide, potassium permanganate), strong acids
Hazardous Decomposition Products Carbon monoxide, carbon dioxide
Polymerization Does not polymerize
Oxidation Slowly oxidizes to benzaldehyde upon exposure to light and air. Antioxidants (BHT, BHA) may be added to prevent oxidation.
Compatibility Compatible with most plastics; however, may soften or dissolve some plastics such as polystyrene and polycarbonate. Glass, HDPE, and stainless steel are preferred.

SECTION 5: FUNCTIONAL PROPERTIES AND MECHANISM OF ACTION

Property / Function Description
Solvent Excellent solvent for many organic substances including resins, dyes, inks, cellulose esters, and gelatin due to its high polarity, low toxicity, and low vapor pressure. Also used in epoxy and polyurethane systems.
Preservative (Antimicrobial Agent) Broad-spectrum antimicrobial activity; effective against bacteria, yeasts, and molds. Used as a preservative in pharmaceutical injectable solutions, cosmetic products, and personal care formulations. FDA approved.
Chemical Intermediate Key building block in the synthesis of benzyl esters, benzyl ethers, benzylamine, and many other organic compounds. Used in the production of esters such as benzyl acetate and benzyl benzoate, widely used in the perfume and flavor industry.
Local Anesthetic Exhibits mild local anesthetic properties. Added to formulations to reduce pain associated with injectable drugs such as lidocaine. Also found in teething gels and topical antipruritic (anti-itch) products.
Viscosity Modifier Functions as a reactive diluent in epoxy resin systems; reduces viscosity for easier application and improves mechanical properties.
Fragrance and Flavor Component Contributes to floral scents such as jasmine and hyacinth; used as a fixative and blender in perfume and flavor formulations.
Antimicrobial Mechanism Disrupts microbial cell membranes; causes protein denaturation; Increases cell membrane permeability leading to cell death.

SECTION 6: TYPICAL SPECIFICATIONS

Parameter Industrial Grade Pharmaceutical Grade Test Method
Purity (%) ≥99.0 ≥99.5 GC
Water Content (%) ≤0.2 ≤0.1 Karl Fischer
Benzaldehyde Content (%) ≤0.1 ≤0.05 GC
Acidity (as benzoic acid, %) ≤0.05 ≤0.02 Titration
Color (Pt-Co, APHA) ≤20 ≤10 ASTM D1209
Density (20°C) 1.043-1.045 1.043-1.045 ASTM D4052
Refractive Index (n²⁰/D) 1.539-1.541 1.539-1.541 ASTM D1218
Ash Content (%) ≤0.01 ≤0.005 USP <281>
Heavy Metals (Pb) ≤10 ppm ≤5 ppm ICP-MS

SECTION 7: USAGE RATES (BY INDUSTRY)

Industry / Application Typical Use / Concentration Function
Pharmaceutical (Preservative) 0.5 – 2% (in injectable and topical solutions) Preservative, local anesthetic
Cosmetics and Personal Care (Preservative) 0.5 – 1.5% Preservative, solvent
Epoxy Resin (Reactive Diluent) 5 – 20% Viscosity modifier
Paints, Varnishes, and Inks (Solvent) 2 – 15% Solvent
Perfume and Flavor (Fixative/Solvent) 1 – 10% Fragrance fixative, solvent
Cleaning Products 1 – 5% Solvent, preservative
Dermatological Products 0.5 – 2% Preservative, local anesthetic
Teething Gels 0.5 – 1% Local anesthetic
Industrial Coatings 2 – 10% Solvent, viscosity modifier

SECTION 8: ADVANTAGES AND DISADVANTAGES

Advantages Disadvantages
Broad-spectrum preservative efficacy; effective against bacteria, yeasts, and molds May cause skin and eye irritation at high concentrations
Low toxicity profile; FDA approved Contraindicated in newborns and premature infants due to risk of "gasping syndrome"
Low vapor pressure; does not evaporate quickly, provides long-lasting effect May cause allergic contact dermatitis in sensitive individuals
Versatile solvent; dissolves many polar and non-polar substances Its characteristic aromatic odor may be undesirable in some applications
Naturally occurring; suitable for natural cosmetic formulations Reacts with strong oxidizing agents; storage conditions require attention

SECTION 9: ALTERNATIVES AND COMPARISON

Alternative Comparison with Benzyl Alcohol
Phenoxyethanol Similar preservative profile; weaker yeast and mold activity compared to benzyl alcohol, but effective over a broader pH range. Often combined with benzyl alcohol.
Ethyl Alcohol (Ethanol) Better solvent and disinfectant; however, much more volatile and dries the skin. Not as effective as a preservative as benzyl alcohol.
Propylene Glycol Better humectant and solvent; preservative efficacy is much weaker than benzyl alcohol.
Parabens (Methylparaben, Propylparaben) Strong preservatives; however, consumer perception is negative due to potential endocrine-disrupting effects. Benzyl alcohol is a "cleaner label" alternative.
Benzoic Acid / Sodium Benzoate Common food preservatives; only effective at acidic pH (pH <5). Benzyl alcohol works over a broader pH range.
Sorbic Acid / Potassium Sorbate Preservatives in food and cosmetics; only effective at acidic pH. Benzyl alcohol works over a broader pH range.

SECTION 10: SAFETY AND HEALTH INFORMATION

GHS Classification (CLP Regulation):

Hazard Class Category H-Statement
Acute Toxicity (Oral) Category 4 H302
Skin Irritation Category 2 H315
Eye Irritation Category 2 H319
STOT - SE Category 3 H335

Signal Word: Warning

Hazard Pictograms: GHS07 (Exclamation mark)

Hazard Statements (H-Codes):

Code Statement
H302 Harmful if swallowed
H315 Causes skin irritation
H319 Causes serious eye irritation
H335 May cause respiratory irritation

Precautionary Statements (P-Codes):

Code Statement
P261 Avoid breathing dust/fume/gas
P264 Wash hands thoroughly after handling
P271 Use only outdoors or in a well-ventilated area
P280 Wear protective gloves/protective clothing/eye protection/face protection
P302+P352 IF ON SKIN: Wash with plenty of soap and water
P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and continue rinsing
P312 Call a POISON CENTER/doctor if you feel unwell
P332+P313 If skin irritation occurs: Get medical advice/attention
P337+P313 If eye irritation persists: Get medical advice/attention
P403+P233 Store in a well-ventilated place. Keep container tightly closed
P501 Dispose of contents/container in accordance with local/regional/national/international regulations

NFPA 704 Hazard Classification:

Health Flammability Reactivity Special
1 1 0 -
(Minimal health hazard) (Combustible) (Stable) (None)

SECTION 11: TOXICOLOGICAL PROFILE

Parameter Value
Acute Oral Toxicity (LD50, Rat) ~1,230 mg/kg
Acute Dermal Toxicity (LD50, Rabbit) >2,000 mg/kg
Acute Inhalation Toxicity (LC50, Rat) >4.17 mg/L (4 hours)
Skin Irritation Mild irritant
Eye Irritation Mild-moderate irritant
Skin Sensitization May cause sensitization (rare)
Carcinogenicity Not classified as carcinogenic
Mutagenicity Not mutagenic
Reproductive Toxicity No reproductive toxicity
Target Organs Skin, eyes, respiratory tract
NOAEL (Rat, 90 days) ~200-400 mg/kg/day
Special Toxicity Note Contraindicated in premature infants and newborns due to risk of "gasping syndrome" (metabolic acidosis, respiratory depression).

SECTION 12: FIRST AID MEASURES

Route of Exposure Action
Inhalation If inhaled as vapor or mist, move to fresh air. Seek medical attention if respiratory symptoms persist.
Skin Contact Remove contaminated clothing. Wash with plenty of soap and water. Seek medical attention if irritation develops.
Eye Contact Rinse thoroughly with plenty of water for at least 15 minutes. Keep eyelids open. Remove contact lenses if present. Seek medical attention if irritation persists.
Ingestion Rinse mouth with water. Do NOT induce vomiting. Drink 1-2 glasses of water. Seek medical attention.
Note Symptomatic treatment is administered. No specific antidote available.

SECTION 13: FIREFIGHTING MEASURES

Parameter Information
Fire Hazard Combustible liquid (Flash Point: 93°C)
Fire-Related Hazards Thermal decomposition produces carbon monoxide (CO) and carbon dioxide (CO₂).
Suitable Extinguishing Media Water mist, CO₂, dry chemical powder, alcohol-resistant foam.
Unsuitable Extinguishing Media Water jet (may spread burning liquid)
Special Protective Equipment Self-contained breathing apparatus (SCBA), full protective clothing.
Special Precautions Prevent firefighting water from entering water bodies.

SECTION 14: STORAGE AND SHELF LIFE

Parameter Information
Storage Conditions Store in a cool (<25°C), dry, well-ventilated area in tightly closed original containers.
Temperature Limits 15-25°C (ideal); do not exceed 30°C
Humidity Low humidity environment
Light Protect from light; prolonged light exposure may cause oxidation and formation of benzaldehyde.
Oxygen Antioxidants (BHT, BHA) may be added to prevent oxidation.
Incompatible Materials Strong oxidizing agents (nitric acid, hydrogen peroxide, potassium permanganate)
Container Requirements Glass, HDPE, stainless steel. May soften some plastics such as polystyrene and polycarbonate.
Shelf Life 24-48 months (under proper storage conditions)
Signs of Degradation Darkening of color, almond-like odor (benzaldehyde formation)

SECTION 15: PACKAGING OPTIONS

Packaging Type Quantity / Capacity Material Application Area
HDPE Drum 25 kg, 50 kg, 200 kg HDPE Industrial, pharmaceutical
Glass Bottle (Amber) 1 L, 2.5 L, 5 L Amber glass Laboratory, high purity
Aluminum Foil Bag 1 L, 5 L, 10 L Aluminum / PE High purity, pharmaceutical
IBC Container 500 L, 1000 L UV-protected HDPE Large-scale industrial supply
Metal Drum (Lined) 200 L Lined steel Industrial, bulk supply

SECTION 16: TRANSPORTATION INFORMATION

Parameter Information
UN Number Not applicable (not classified as dangerous substance)
Hazard Class Not applicable
Packing Group Not applicable
ADR/RID Not classified as dangerous goods
IMDG Code Not marine pollutant
IATA (Air) Not classified as dangerous goods; can be transported by air
Transport Temperature Ambient temperature; protect from heat, moisture, and light
Transport Precautions Light-proof packaging; keep away from strong oxidizing agents
Spill Cleanup Collect with absorbent material; do not allow to enter sewers or water bodies
Marine Pollutant No

SECTION 17: REGULATORY STATUS

Region / Authority Status
USA (FDA) GRAS (21 CFR 182.60); Food additive; Approved as pharmaceutical preservative
European Union (EC) Approved as cosmetic preservative (EC 1223/2009, Annex V/43); Approved as food flavoring
Turkey Approved as cosmetic, pharmaceutical, and food ingredient; Subject to KKDIK regulation
ECHA (REACH) Registered substance
TSCA (USA) Listed
California (Prop 65) Not listed
Halal Yes (synthetic, not animal-derived)
Kosher Yes (with certification)
Vegan Yes (synthetic)
FDA Injectable Use Approved (max. 2%)
Cosmetics Maximum Concentration 1.5% (as preservative)

SECTION 18: OTHER NAMES AND SYNONYMS

Type Name
Chemical Name (IUPAC) Phenylmethanol
Common Names Benzyl Alcohol, Benzal Alcohol
Other Names Phenylmethyl alcohol, Hydroxytoluene, Hydroxymethyl benzene, Aromatic alcohol
CAS Number 100-51-6
EC Number 202-859-9
PubChem CID 244
DrugBank ID DB06770
FDA UNII LKG8494WBH
HS Code 2906.21
E Number None (food flavoring)

SECTION 19: SUMMARY TABLE

Property Value
CAS Number 100-51-6
Molecular Formula C₇H₈O (C₆H₅CH₂OH)
Molecular Weight 108.14 g/mol
Appearance Colorless, clear liquid
Odor Slight, pleasant aromatic
Melting Point -15.2 °C
Boiling Point 205.3 °C
Density (20°C) 1.044 g/cm³
Water Solubility ~4 g/100 mL
Flash Point 93 °C
Primary Function Solvent, preservative, chemical intermediate, local anesthetic
Main Applications Pharmaceutical, cosmetics, epoxy resins, paints, perfumes
Shelf Life 24-48 months
Storage Cool (<25°C), dry, light-protected
GHS Signal Word Warning
UN Number Not applicable
FDA Status GRAS (21 CFR 182.60)
Halal / Kosher / Vegan Yes

SECTION 20: CRITICAL WARNINGS AND BEST PRACTICES

CRITICAL WARNINGS:

  1. Premature Infants and Newborns: Benzyl alcohol is contraindicated in premature infants and newborns due to risk of "gasping syndrome" (metabolic acidosis, respiratory depression).

  2. Allergic Reactions: May cause allergic contact dermatitis in sensitive individuals. Patch testing should be performed before use in individuals with sensitive skin.

  3. Skin and Eye Irritation: May cause skin and eye irritation at high concentrations. Use protective equipment.

  4. Oxidation: Slowly oxidizes to benzaldehyde upon exposure to light and air. Store in light-protected containers.

  5. Incompatibility: May react vigorously with strong oxidizing agents (nitric acid, hydrogen peroxide, potassium permanganate).

  6. Plastic Compatibility: May dissolve or soften some plastics such as polystyrene and polycarbonate; use glass, HDPE, or stainless steel for storage and handling.

BEST PRACTICE RECOMMENDATIONS:

  1. Concentration: Use 0.5-2% as a preservative in cosmetic and pharmaceutical formulations. Maximum 2% in injectable solutions.

  2. Formulation: Effective as a preservative in pH 4-8 range. Combination with phenoxyethanol provides synergistic effect.

  3. Dissolution: Moderately soluble in water; miscible with organic solvents. Can be added directly to formulations.

  4. Antioxidant Use: Add BHT (0.01-0.1%) or Vitamin E to prevent oxidation.

  5. Light Protection: Store in amber glass or opaque containers. Avoid prolonged light exposure.

  6. Personal Protective Equipment: Chemical-resistant gloves (nitrile, neoprene), safety goggles, organic vapor respirator (for large quantities).

  7. Hygiene: Wash hands thoroughly after handling; Do not eat, drink or smoke when using this product.

  8. Storage: Store in cool, dry, light-protected containers. Keep containers tightly closed to minimize air exposure.

  9. Quality Control: Regularly perform GC for purity, Karl Fischer for water content, GC for benzaldehyde content, titration for acidity.

  10. Spill Cleanup: Collect with absorbent material; prevent entry into sewers or water bodies.

LEGAL DISCLAIMER:

The information provided in this document is based on our current knowledge and experience and is presented in good faith. However, as all conditions of use are beyond our control, it does not constitute a binding specification or guarantee. This Technical Data Sheet is for informational purposes only. Users are responsible for testing suitability for their own applications and for complying with all local, regional, and national regulations. For complete safety, storage, use, handling, waste, and regulatory compliance information, please refer to the official Safety Data Sheet (SDS/MSDS) provided by the manufacturer/supplier.

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