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56172-46-4

Basic Information
CAS No.: 56172-46-4
Name: GERANYL CROTONATE
Molecular Structure:
Molecular Structure of 56172-46-4 (GERANYL CROTONATE)
Formula: C14H22 O2
Molecular Weight: 222.327
Synonyms: 2-Butenoicacid, (2E)-3,7-dimethyl-2,6-octadienyl ester (9CI); 2-Butenoic acid,3,7-dimethyl-2,6-octadienyl ester, (?,E)-; Geranyl crotonate
Density: 0.912g/cm3
Boiling Point: 303.8°Cat760mmHg
Flash Point: 144.6°C
Safety: Low toxicity by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
PSA: 26.30000
LogP: 3.79840
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    GERANYL CROTONATE

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    GERANYL CROTONATE

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Chemistry

MF: C14H22O2
MW: 222.32
EINECS: 260-027-0 
Density: 0.912 g/cm3
Flash Point:  144.6 °C
Index of Refraction: 1.474 
Refractive index: 1.4364-1.4384
Enthalpy of Vaporization: 54.41 kJ/mol 
Boiling Point: 303.8 °C at 760 mmHg 
Vapour Pressure: 0.00091 mmHg at 25°C  
Odor description: sweet caramel maple fruity almond acorns nutty
IUPAC Name: [(2E)-3,7-Dimethylocta-2,6-dienyl] (E)-but-2-enoate
Appearence3,7-Dimethyl-2-trans,6-octadienyl crotonate (CAS NO.56172-46-4): colorless clear liquid
Synonyms: Geranyl crotonate ; 2-Butenoicacid,(2E)-3,7-dimethyl-2,6-octadienylester ; 2-Butenoicacid,3,7-dimethyl-2,6-octadienylester ; 3,7-Dimethyl-,2-butenoate,(E)-6-octadien-1-ol ; 3,7-Dimethyl-2,6-octadienylester,(?,e)-2-butenoicaci ; 3,7-Dimethyl-2-trans,6-octadienylcrotonate ; Crotonicacid,geraniolester ; Geraniolcrotonate
Following is the molecular structure of 3,7-Dimethyl-2-trans,6-octadienyl crotonate (CAS NO.56172-46-4):

Uses

 3,7-Dimethyl-2-trans,6-octadienyl crotonate (CAS NO.56172-46-4) is used as perfuming agents in Cosmetic.

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MOD

    FCTXAV    Food and Cosmetics Toxicology. 12 (1974),891.
2.    

orl-rat LD50:>5 g/kg

    FCTXAV    Food and Cosmetics Toxicology. 12 (1974),891.
3.    

skn-rbt LD50:>5 g/kg

    FCTXAV    Food and Cosmetics Toxicology. 12 (1974),891.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

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