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141-16-2

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141-16-2 Structure

141-16-2 Structure
IdentificationMore
[Name]

CITRONELLYL BUTYRATE
[CAS]

141-16-2
[Synonyms]

3,7-DIMETHYL-6-OCTEN-1-YL BUTYRATE
3,7-DIMETHYLOCT-6-ENYL BUTANOATE
6-OCTEN-1-OL, 3,7-DIMETHYL:BUTYRATE
CITRONELLYL BUTYRATE
FEMA 2312
RHODINYL BUTYRATE
2,6-Dimethyl-2-octen-8-ol, butyrate
2,6-dimethyl-2-octen-8-ol,butyrate
2,6-Dimethyl-2-octen-8-yl butyrate
2,6-dimethyl-2-octen-8-ylbutyrate
2,6-dimethyl-2-octen-8-yl-n-butyrate
3,7-dimethyl-6-octen-1-obutyrate
3,7-Dimethyl-6-octenyl butyrate
Butanoic acid, 3,7-dimethyl-6-octenyl ester
Butanoicacid,3,7-dimethyl-6-octenylester
Butyric acid, 3,7-dimethyl-6-octenyl ester
butyricacid,3,7-dimethyl-6-octenylester
Citronellyl butanoate
Citronellyl n-butyrate
Natural rhodinol, butylated
[EINECS(EC#)]

205-463-4
[Molecular Formula]

C14H26O2
[MDL Number]

MFCD00036581
[Molecular Weight]

226.36
[MOL File]

141-16-2.mol
Chemical PropertiesBack Directory
[Melting point ]

-22.4°C (estimate)
[Boiling point ]

245 °C(lit.)
[density ]

0.873 g/mL at 25 °C(lit.)
[vapor pressure ]

10Pa at 25℃
[FEMA ]

2312
[refractive index ]

n20/D 1.445(lit.)
[Fp ]

>230 °F
[Odor]

at 100.00 %. sweet fruity floral tropical green geranium waxy
[Odor Type]

floral
[Water Solubility ]

1.63mg/L at 20℃
[JECFA Number]

65
[LogP]

6.2 at 25℃
[CAS DataBase Reference]

141-16-2(CAS DataBase Reference)
[EPA Substance Registry System]

3,7-Dimethyl-6-octenyl butyrate (141-16-2)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

RH3430000
[Toxicity]

Both the oral LD50 value in rats and the dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1972).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Citronella oil-->2,2,2-TRIFLUOROETHYL BUTYRATE-->Butyryl chloride-->Butyric Acid-->Citronellol
Hazard InformationBack Directory
[Chemical Properties]

Citronellyl butyrate has a strong, fruity and rose-like odor with sweet, plum-like taste.
[Occurrence]

Reported in Ceylon citronella oil, orange juice, tomato, passion fruit and juice.
[Definition]

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

By direct esterification of citronellol with butyric acid under azeotropic conditions or by treatment with butyric anhydride (Gildemeister & Hoffman, 1966).
[Taste threshold values]

Taste characteristics at 30 ppm: fruity, sweet, waxy, green with perfume nuance
[Flammability and Explosibility]

Notclassified
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

141-16-2(sigmaaldrich)
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