105-85-1

Name CITRONELLYL FORMATE
CAS 105-85-1
EINECS(EC#) 203-338-9
Molecular Formula C11H20O2
MDL Number MFCD00021050
Molecular Weight 184.28
MOL File 105-85-1.mol
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Chemical Properties

Appearance Colorless liquid; floral odor. One volume dissolves in three volumes 80% alcohol; soluble in most oils. Combustible.
Melting point  -58.7°C (estimate)
Boiling point  235 °C(lit.)
density  0.897 g/mL at 25 °C(lit.)
vapor pressure  4Pa at 20℃
FEMA  2314
refractive index  n20/D 1.446(lit.)
Fp  198 °F
storage temp.  Sealed in dry,Room Temperature
Specific Gravity 0.89
Odor at 100.00 %. bergamot cucumber rose apricot peach plum
biological source synthetic
Odor Type floral
Water Solubility  16.2mg/L at 20℃
JECFA Number 53
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3
InChIKey DZNVIZQPWLDQHI-UHFFFAOYSA-N
SMILES CC(CCOC=O)CC\C=C(\C)C
LogP 3.9 at 20℃
Uses
Flavoring.
CAS DataBase Reference 105-85-1
EPA Substance Registry System 6-Octen-1-ol, 3,7-dimethyl-, formate (105-85-1)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  2
RTECS  RH3480000
TSCA  TSCA listed
REACH Registrations Active
Storage Class 10 - Combustible liquids
Hazard Classifications Skin Irrit. 2
Skin Sens. 1B
Safety Profile
Mildly toxic by ingestion. A human skin irritant. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS and FORMIC ACID.
Toxicity
rat,LD50,oral,8400mg/kg (8400mg/kg),Food and Cosmetics Toxicology. Vol. 11, Pg. 1073, 1973.

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