ChemicalBook--->CAS DataBase List--->105-85-1

105-85-1

105-85-1 Structure

105-85-1 Structure
IdentificationBack Directory
[Name]

CITRONELLYL FORMATE
[CAS]

105-85-1
[Synonyms]

FEMA 2314
NSC 46117
RHODINYL FORMATE
citronellolformate
Citronelyl formate
CITROBELLYLFORMATE
Citronellylformiat
CITRONELLYL FORMATE
CITRONELLYL FORMATE FCC
formicacid,citronellylester
3,7-Dimethyl-6-octenyl formate
3,7-dimethyl-6-octen-1-oformate
2,6-dimethyl-2-octen-8-ylformate
3,7-DIMETHYL-6-OCTEN-1-YL FORMATE
2,6-Dimethyl-2-octen-8-yl formate
3,7-diMethyloct-6-en-1-yl forMate
3,7-Dimethyl-6-octen-1-ol formate
6-OCTEN-1-OL, 3,7-DIMETHYL:FORMATE
3 7-DIMETHYL-6-OCTEN-1-YL FORMATE FCC
Formic acid 3,7-dimethyl-6-octenyl ester
formicacid3,7-dimethyl-oct-6-en-1-ylester
formicacid,3,7-dimethyl-6-octen-1-ylester
Formic acid, 3,7-dimethyl-6-octen-1-yl ester
[EINECS(EC#)]

203-338-9
[Molecular Formula]

C11H20O2
[MDL Number]

MFCD00021050
[MOL File]

105-85-1.mol
[Molecular Weight]

184.28
Chemical PropertiesBack Directory
[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)
Safety DataBack Directory
[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 ]

36/37/38
[Safety Statements ]

26-36/37/39
[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.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Vanillin
Hazard InformationBack Directory
[Chemical Properties]

Citronellyl formate has a strong, fruity, rose-like odor with a sweet, fruity taste.
[Chemical Properties]

Citronellyl Formate is a liquid with a strongly fruity, rose-like odor, which is suitable for fresh top notes in rose and lily of the valley fragrances.
[Chemical Properties]

Colorless liquid; floral odor. One volume dissolves in three volumes 80% alcohol; soluble in most oils. Combustible.
[Occurrence]

Reported present in geranium essential oil and in the oils of Rosa borbonica, Cupressus lusitanica. Reported found in mandarin, satsuma and kumquat peel oil, laurel (Laurus nobilis L.), lovage root, black currant buds, basil and honey.
[Definition]

ChEBI: Citronellyl formate is a carboxylic ester.
[Preparation]

By direct esterification of citronellol with formic acid.
[Taste threshold values]

Taste characteristics at 20 ppm: floral, waxy, fruity, citrus and tangerine.
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

CITRONELLYL FORMATE(105-85-1)IR
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