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Linalool, Linalyl Alcohol, Linaloyl Oxide, 78-70-6

Linalool, Linalyl Alcohol, Linaloyl Oxide, 78-70-6

LINALOOL – LINALOOL

CAS Number: 78-70-6
EC Number (EINECS): 201-134-4
Molecular Formula: C₁₀H₁₈O
Molecular Weight: 154.25 g/mol
Chemical Class: Terpene alcohol (monoterpenoid)

SECTION 1: CHEMICAL IDENTITY AND DEFINITION

Parameter Information
Chemical Name (IUPAC) 3,7-Dimethyl-1,6-octadien-3-ol
Other Names Linalyl Alcohol, β-Linalool, Licareol, Koriandrol, Linaloyl Oxide, Allo-ocimenol
Chemical Formula C₁₀H₁₈O
Molecular Weight 154.25 g/mol
CAS Number 78-70-6
EC Number (EINECS) 201-134-4
Chemical Class Terpene alcohol (monoterpenoid)
Appearance Colorless to pale yellow, oily liquid
Odor Floral, slightly spicy, lavender-like
Taste Slightly spicy, floral
Physical State (20°C) Liquid
Optical Activity (R)-(-)-Linalool and (S)-(+)-Linalool enantiomers available
Source Lavender, coriander, basil, orange, bay leaf
E Number Not assigned

SECTION 2: PHYSICAL PROPERTIES

Property Value
Appearance Colorless to pale yellow, oily liquid
Odor Floral, slightly spicy, lavender-like
Molecular Weight 154.25 g/mol
Melting Point < -20 °C
Boiling Point 198 – 199 °C
Density (20°C) 0.858 – 0.868 g/cm³
Refractive Index (nD²⁰) 1.460 – 1.464
Specific Rotation [α]D²⁰ -12° to -17° (R-form), +12° to +17° (S-form)
Solubility in Water Slightly soluble (~1.5 g/L)
Solubility in Ethanol Miscible
Solubility in Oils Miscible
Solubility in Organic Solvents Miscible (ether, chloroform, hexane)
Flash Point 76 °C (closed cup)
Vapor Pressure (20°C) ~0.16 mmHg
Log P (octanol/water) 2.97

SECTION 3: CHEMICAL PROPERTIES

Property Information
Chemical Formula C₁₀H₁₈O
Molecular Weight 154.25 g/mol
Chemical Class Terpene alcohol (monoterpenoid)
Functional Groups Alcohol (-OH), two double bonds (C=C)
Structure Acyclic monoterpene alcohol
SMILES CC(=CCCC(C)(C=C)O)C
InChI Key CDOSHBSSFJOMGT-UHFFFAOYSA-N
Optical Isomers (R)-(-)-Linalool (natural, lavender), (S)-(+)-Linalool (natural, coriander)
Stability Stable under normal storage conditions
Oxidation Slowly oxidizes in air
Incompatible Materials Strong oxidizing agents, strong acids, strong bases

Chemical Structure:

    CH₃
     |
CH₃-C-CH₂-CH₂-CH=C(CH₃)₂
     |
     OH

3,7-Dimethyl-1,6-octadien-3-ol
(Linalool)

SECTION 4: ENANTIOMERS

Isomer CAS Number Source Odor Profile
(R)-(-)-Linalool 126-91-0 Lavender, bay leaf, basil Sweet, floral, lavender-like
(S)-(+)-Linalool 126-90-9 Coriander, sweet orange, bergamot Spicy, woody, coriander-like
Racemic (R/S) 78-70-6 Synthetic mixture Mixed profile

SECTION 5: NATURAL SOURCES

Source Content (%) Enantiomer
Lavender (Lavandula officinalis) 30-50% R-(-)
Coriander (Coriandrum sativum) 60-80% S-(+)
Sweet Basil (Ocimum basilicum) 30-70% R-(-)
Sweet Orange (Citrus sinensis) 10-30% S-(+)
Bay Leaf (Laurus nobilis) 30-50% R-(-)
Bergamot (Citrus bergamia) 10-20% S-(+)
Rosemary (Rosmarinus officinalis) 10-30% R-(-)
Thyme (Thymus vulgaris) 10-20% R-(-)

SECTION 6: APPLICATION AREAS

6.1. Perfume and Cosmetic Industry

Application Function
Perfumes Fragrance component; floral, lavender note
Cosmetic Products Fragrance component
Soaps Fragrance component
Lotions and Creams Fragrance component
Shampoos Fragrance component
Detergents Fragrance component
Room Sprays Fragrance component

6.2. Food Industry

Application Function
Flavoring Agent Natural flavor component (FEMA 2635)
Flavor Enhancer Flavoring in foods and beverages
Spice Blends Flavor component
Alcoholic Beverages Flavor and taste component

6.3. Agriculture

Application Function
Insect Repellent Natural insect repellent
Insecticide Natural pesticide

6.4. Household Products

Application Function
Cleaning Products Fragrance component
Fabric Softeners Fragrance component

SECTION 7: BIOLOGICAL ACTIVITIES

Activity Description
Anti-inflammatory Reduces inflammation
Antimicrobial Effective against bacteria and fungi
Antioxidant Scavenges free radicals
Anxiolytic Calming, anxiety-reducing effects
Sedative Sleep-promoting effects
Analgesic Pain-relieving effects
Insect Repellent Effective against mosquitoes and other insects

SECTION 8: SAFETY AND HEALTH INFORMATION

GHS Classification

Hazard Class Category
Skin Irritation Category 2 (H315)
Eye Irritation Category 2A (H319)
Skin Sensitization Category 1 (H317)
Aquatic Toxicity (Chronic) Category 2 (H411)
Signal Word Warning

Hazard Statements (H-Codes)

Code Statement
H315 Causes skin irritation
H317 May cause an allergic skin reaction
H319 Causes serious eye irritation
H411 Toxic to aquatic life with long lasting effects

Precautionary Statements (P-Codes)

Code Statement
P261 Avoid breathing vapors
P280 Wear protective gloves/eye protection
P302+P352 IF ON SKIN: Wash with plenty of soap and water
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes; remove contact lenses if present and easy to do; continue rinsing

SECTION 9: TOXICOLOGICAL INFORMATION

Parameter Value
Oral LD50 (Rat) 2,790 mg/kg
Dermal LD50 (Rabbit) > 5,000 mg/kg
Skin Irritation Mild irritant
Eye Irritation Mild irritant
Skin Sensitization May be sensitizing
Carcinogenicity Not classified
Mutagenicity Negative in standard tests
Target Organs Skin, eyes

SECTION 10: FIRST AID MEASURES

Exposure Route Action
Inhalation Move to fresh air. If respiratory irritation persists, seek medical attention.
Skin Contact Wash with plenty of soap and water. Remove contaminated clothing.
Eye Contact Rinse immediately with plenty of water for at least 15 minutes. Seek medical attention.
Ingestion Rinse mouth. Do not induce vomiting. Seek medical attention.

SECTION 11: STORAGE AND SHELF LIFE

Parameter Information
Storage Conditions Cool (15-25°C), dry, well-ventilated area
Container Requirements Tightly closed, light-resistant containers
Protect From Light, air (oxidation), heat, strong oxidizing agents
Shelf Life 24-48 months (unopened original packaging)
Stability Note Slowly oxidizes in air; color may darken

SECTION 12: PACKAGING OPTIONS

Packaging Type Quantity Material
Glass bottle 1-5 L Amber glass
Plastic drum 200-250 kg HDPE
Plastic pail 20-25 kg HDPE
Aluminum foil bag 1-5 kg Laminated aluminum

SECTION 13: TRANSPORT INFORMATION

Parameter Information
UN Number Not regulated (not dangerous goods)
Hazard Class Not applicable
Packing Group Not applicable
ADR/RID Not regulated
IMDG Code Not regulated
IATA (Air) Not regulated
Marine Pollutant Yes (H411)

SECTION 14: FIRE-FIGHTING MEASURES

Parameter Information
Fire Hazard Combustible liquid
Flash Point 76 °C
Suitable Extinguishing Media CO₂, dry chemical powder, alcohol-resistant foam, water spray
Specific Hazards When heated, emits CO, CO₂
Decomposition Products CO, CO₂
Protective Equipment Self-contained breathing apparatus (SCBA), full protective clothing

SECTION 15: ACCIDENTAL SPILLAGE AND CLEANUP

Parameter Information
Personal Protection Nitrile gloves, protective goggles, chemical-resistant clothing
Cleaning Methods Absorb with inert material (sand, vermiculite); dispose in sealed containers
Environmental Precautions Prevent entry into drains, soil, and surface waters
Waste Disposal According to local regulations; incineration at licensed facilities

SECTION 16: OTHER NAMES AND SYNONYMS

Type Name
Turkish Names Linalol, Linalil Alkol
English Names Linalool, Linalyl Alcohol, Licareol, Koriandrol, Linaloyl Oxide
Chemical Names 3,7-Dimethyl-1,6-octadien-3-ol, β-Linalool, Allo-ocimenol
CAS Number 78-70-6
EC Number 201-134-4
FEMA Number 2635
PubChem CID 6549

SECTION 17: SUMMARY AND CRITICAL NOTES

Product Summary

Parameter Value
Product Linalool
CAS Number 78-70-6
Appearance Colorless to pale yellow, oily liquid
Odor Floral, lavender-like
Boiling Point 198-199 °C
Primary Function Fragrance component, flavoring agent

Critical Notes

  1. Natural Source: Linalool is naturally found in lavender, coriander, basil, orange, and many other plants.

  2. Enantiomers: Two optical isomers exist: (R)-(-)-Linalool (lavender odor) and (S)-(+)-Linalool (coriander odor).

  3. Fragrance Component: Widely used in perfumes, cosmetics, soaps, and detergents.

  4. Flavoring Agent: Used as a natural flavoring agent in the food industry (FEMA 2635).

  5. Bioactivity: Exhibits anti-inflammatory, antimicrobial, antioxidant, and sedative properties.

  6. Insect Repellent: Effective as a natural insect repellent.

  7. Sensitization: May cause skin sensitization in some individuals.

  8. Oxidation: Slowly oxidizes in air; oxidation products may increase allergenic potential.

  9. Environmental Impact: Toxic to aquatic life (H411); avoid release into the environment.

  10. Regulatory Status: Widely approved in cosmetic, food, and fragrance industries; no E number assigned.

IMPORTANT DECLARATION: This Technical Data Sheet (TDS) is for informational purposes only and has been prepared based on available technical data. The user is responsible for determining the product's suitability for their specific application and for complying with all local, national, and international regulations. For complete safety, storage, use, transport, waste, and regulatory compliance information, refer to the official Safety Data Sheet (SDS/MSDS) provided by the manufacturer/supplier.

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