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ChemicalBook--->CAS DataBase List--->78-35-3

78-35-3

78-35-3 Structure

78-35-3 Structure
IdentificationBack Directory
[Name]

LINALYL ISOBUTYRATE
[CAS]

78-35-3
[Synonyms]

FEMA 2640
LINALYLISOBUTYRAT
LINALYL ISOBUTYRATE
linaloolisobutyrate
Linalool, isobutyrate
Linalyl 2-methylpropanoate
Linalyl acetate isobutyrate
isobutyricacid,linalylester
LINALYL ISOBUTYRATE USP/EP/BP
3,7-Dimethyl-1,6-octadienylisobutyrate
3,7-Dimethyl-1,6-octadienyl isobutyrate
6-octadien-3-ol,3,7-dimethyl-isobutyrate
1,5-Dimethyl-1-vinylhex-4-enylisobutyrat
3,7-dimethyl-1,6-octadien-3-ylisobutyrate
1,5-DIMETHYL-1-VINYL-4-HEXENYLISOBUTYRATE
3,7-Dimethyl-1,6-octadien-3-yl isobutyrate
1,5-dimethyl-1-vinylhex-4-enyl isobutyrate
3,7-Dimethylocta-1,6-dien-3-yl isobutyrate
1,6-Octadien-3-ol, 3,7-dimethyl-, isobutyrate
1,5-Dimethyl-1-vinyl-4-hexenyl 2-methylpropanoate
isobutyricacid1,5-dimethyl-1-vinyl-hex-4-enylester
isobutyricacid,1,5-dimethyl-1-vinyl-4-hexenylester
Isobutyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
2-Methylpropionic acid 1,5-dimethyl-1-vinyl-4-hexenyl ester
Propanoicacid,2-methyl-,1-ethenyl-1,5-dimethyl-4-hexenylester
Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
[EINECS(EC#)]

201-108-2
[Molecular Formula]

C14H24O2
[MDL Number]

MFCD00048312
[MOL File]

78-35-3.mol
[Molecular Weight]

224.34
Chemical PropertiesBack Directory
[Boiling point ]

305.75°C (rough estimate)
[density ]

1.0013 (rough estimate)
[vapor pressure ]

3.5-6.1Pa at 20-25℃
[FEMA ]

2640 | LINALYL ISOBUTYRATE
[refractive index ]

1.4576 (estimate)
[Odor]

at 100.00 %. light fruity lavender woody bergamot
[Odor Type]

fruity
[JECFA Number]

362
[LogP]

5.5 at 30℃ and pH7
[Uses]

Linalyl Isobutyrate is a flavoring agent that is a liquid, slightly yellow in color with a fruity odor. it is miscible in alcohol, ether, and chloroform, and insoluble in water. it is obtained by chemical synthesis. it is also termed 3,7-dimethyl-2,6-octadien-3-yl isobutrate.
[NIST Chemistry Reference]

Linalyl isobutyrate(78-35-3)
[EPA Substance Registry System]

Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester(78-35-3)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Linalool-->Isobutyric anhydride-->3,7-dimethyloct-6-en-1-yn-3-ol-->Isobutyryl chloride
Hazard InformationBack Directory
[Description]

Linalyl isobutyrate has a light, fruity odor with a lavender note and a sweet flavor reminiscent of black currant. May be synthe sized by esterification of linalool with isobutyric anhydride.
[Chemical Properties]

Linalyl Isobutyrate has a fresh, fruity lavender odor,which is more refined than that of the butyrate. It is used in lavender compositions and in several floral notes.
[Chemical Properties]

Linalyl isobutyrate has a light, fruity odor with a lavender note and a sweet flavor reminiscent of black currant.
[Occurrence]

Reported found in the essential oil of Ceylon cinnamon and in lavender oil; a dextrorotatory form has been reported in the oil from leaves of Agathosoma gnidioides and sour cherry.
[Definition]

ChEBI: Linalyl isobutyrate is a monoterpenoid.
[Preparation]

By esterification of linalool with isobutyric anhydride.
[Taste threshold values]

Taste characteristics at 20 ppm: floral, fruity, sweet, berry and citrus.
[Toxicity evaluation]

In the rat, the acute oral LD 50 was reported to be > 36.3 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964). At this dose, the highest tested, toxic signs included depression, wet fur and diarrhoea, but the surviving animals appeared normal after 1 wk. In the mouse, the acute oral LD 50 was 151 g/kg (Jenner et al. 1964); animals were depressed soon after treatment and excitable after 1 hr, with rough fur, and death occurred between 4 hr and 3 days. The acute dermal LD 50 in rabbits was reported as > 5 g/kg (Moreno, 1974).
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