LINALYL ISOBUTYRATE

LINALYL ISOBUTYRATE Basic information
Product Name:LINALYL ISOBUTYRATE
Synonyms:1,5-Dimethyl-1-vinyl-4-hexenyl 2-methylpropanoate;1,6-Octadien-3-ol, 3,7-dimethyl-, isobutyrate;3,7-Dimethyl-1,6-octadien-3-yl isobutyrate;3,7-dimethyl-1,6-octadien-3-ylisobutyrate;3,7-Dimethyl-1,6-octadienyl isobutyrate;3,7-Dimethyl-1,6-octadienylisobutyrate;LINALYL ISOBUTYRATE;1,5-dimethyl-1-vinylhex-4-enyl isobutyrate
CAS:78-35-3
MF:C14H24O2
MW:224.34
EINECS:201-108-2
Product Categories:
Mol File:78-35-3.mol
LINALYL ISOBUTYRATE Structure
LINALYL ISOBUTYRATE Chemical Properties
Boiling point 305.75°C (rough estimate)
density 1.0013 (rough estimate)
vapor pressure 3.5-6.1Pa at 20-25℃
refractive index 1.4576 (estimate)
FEMA 2640 | LINALYL ISOBUTYRATE
Odorat 100.00 %. light fruity lavender woody bergamot
Odor Typefruity
JECFA Number362
LogP5.5 at 30℃ and pH7
NIST Chemistry ReferenceLinalyl isobutyrate(78-35-3)
EPA Substance Registry System3,7-Dimethyl-1,6-octadien-3-ol isobutyrate (78-35-3)
Safety Information
MSDS Information
LINALYL ISOBUTYRATE Usage And Synthesis
DescriptionLinalyl 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 PropertiesLinalyl isobutyrate has a light, fruity odor with a lavender note and a sweet flavor reminiscent of black currant.
Chemical PropertiesLinalyl 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.
OccurrenceReported 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.
UsesLinalyl 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.
PreparationBy esterification of linalool with isobutyric anhydride.
DefinitionChEBI: Linalyl isobutyrate is a monoterpenoid.
Taste threshold valuesTaste characteristics at 20 ppm: floral, fruity, sweet, berry and citrus.
Toxicity evaluationIn 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).
LINALYL ISOBUTYRATE Preparation Products And Raw materials
Raw materialsLinalool-->Isobutyric anhydride-->3,7-dimethyloct-6-en-1-yn-3-ol-->Isobutyryl chloride
NERYL ISOBUTYRATE Hexyl isobutyrate OCTYL ISOBUTYRATE HEPTYL ISOBUTYRATE AMYL ISOBUTYRATE LINALYL PROPIONATE Linalyl acetate 1-HEXEN-3-YL ACETATE Ethyl linalool Isobutyric acid LINALYL ISOBUTYRATE Linalool 2-Methyl-3-buten-2-ol allyl isobutyrate NEROLIDYL ISOBUTYRATE LINALYL BUTYRATE 3-METHYL-1-PENTEN-3-OL LINALYL FORMATE

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