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
[Cosmetics Ingredients Functions]

PERFUMING
[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)
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Hazard statements ]

H411
[TSCA ]

TSCA listed
[REACH Registrations]

Active
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.
[Application]

Linalyl Isobutyrate is used in perfume compositions, mainly in Lavender complexes, Bergamot bases, Lilac and Citrus-colognes, etc. The ester is also used in Banana, Blackcurrant, Cherry, Pear, Pineapple, Plum and other imitation fruit flavours, as well as in Nut, Spice, Citrus, Berry and various fruit complexes and bases. The concentration varies from 2 to 15 ppm in the finished product.
[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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