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126-64-7

Basic Information
CAS No.: 126-64-7
Name: LINALYL BENZOATE
Article Data: 3
Molecular Structure:
Molecular Structure of 126-64-7 (LINALYL BENZOATE)
Formula: C17H22 O2
Molecular Weight: 258.36
Synonyms: 1,6-Octadien-3-ol,3,7-dimethyl-, benzoate (7CI,8CI,9CI); Linalool, benzoate (6CI);3,7-Dimethyl-1,6-octadien-3-ol benzoate; 3,7-Dimethyl-1,6-octadien-3-ylbenzoate; Linalyl benzoate; NSC 71926
EINECS: 204-796-2
Density: 0.98 g/mL at 25 °C(lit.)
Boiling Point: 349.2 °C at 760 mmHg
Flash Point: 158.7 °C
Solubility: insoluble in water; soluble in organic solvents, oils
Appearance: yellowish to amber liquid with a heavy, floral, balsamic, fruity odour
Safety: Low toxicity by ingestion and skin contact. A skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 26.30000
LogP: 4.53450
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Chemistry

Product Name: Linalyl benzoate (CAS NO.126-64-7)


Molecular Formula: C17H22O2
Molecular Weight: 258.36g/mol
Mol File: 126-64-7.mol
Einecs: 204-796-2
Appearance: Light yellow to brown liquid
Melting Point: 349.2 °C at 760 mmHg
Boiling point: 213 °C(lit.)
Flash Point: 158.7 °C
Density: 0.98 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.508(lit.)
Solubility: Insoluble in water; soluble in organic solvents, oils
Surface Tension: 33.8 dyne/cm
Enthalpy of Vaporization: 59.36 kJ/mol
Vapour Pressure: 4.79E-05 mmHg at 25°C
XLogP3-AA: 5
H-Bond Donor: 0
H-Bond Acceptor: 2
Product Categories: Alphabetical Listings; Flavors and Fragrances; I-L

Uses

Spices. Linalyl benzoate (CAS NO.126-64-7) is mainly used for a variety of floral and citrus flavor, mixed Kam fruit, berries flavor.

Production

 Linalyl benzoate (CAS NO.126-64-7) is made by linalool and the presence of benzoyl chloride in pyridine reaction derived.

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

    FCTXAV    Food and Cosmetics Toxicology. 14 (1976),461.
2.    

orl-rat LD50:>5 g/kg

    FCTXAV    Food and Cosmetics Toxicology. 14 (1976),461.
3.    

skn-rbt LD50:>5 g/kg

    FCTXAV    Food and Cosmetics Toxicology. 14 (1976),461.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion and skin contact. A skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 Linalyl benzoate ,its CAS NO. is 126-64-7,the synonyms is Fema 2638 ; Fema 2635 ; 1,5-Dimethyl-1-vinyl-4-hexen-1-obenzoate ; 1,5-Dimethyl-1-vinyl-4-hexen-1-ylbenzoate ; 1,6-Octadien-3-ol,3,7-dimethyl-,benzoate ; 3,7-Dimethyl-1,6-octadien-3-ylbenzoate ; 6-Octadien-3-ol,3,7-dimethyl-benzoate .