ChemicalBook--->CAS DataBase List--->78-37-5

78-37-5

78-37-5 Structure

78-37-5 Structure
IdentificationBack Directory
[Name]

LINALYL CINNAMATE
[CAS]

78-37-5
[Synonyms]

FEMA 2641
NSC 46163
Linalylcinnamat
LINALYL CINNAMATE
Linallyl Cinnamate
cinnamicacid,linalylester
LINALYL CINNAMATE USP/EP/BP
6-octadien-3-ol,3,7-dimethyl-cinnamate
3,7-DiMethylocta-1,6-dien-3-yl cinnaMate
1,5-dimethyl-1-vinyl-4-hexen-1-ocinnamate
3,7-Dimethyl-1,6-octadien-3-ol, cinnamate
1,5-dimethyl-1-vinyl-4-hexen-1-ylcinnamate
cinnamicacid,1,5-dimethyl-1-vinyl-4-hexenylester
cinnamicacid,1,5-dimethyl-1-vinyl-4-hexen-1-ylester
3,7-DIMETHYLOCTA-1,6-DIEN-3-YL (2E)-3-PHENYLPROP-2-ENOATE
3-Phenylpropenoic acid 1,5-dimethyl-1-vinyl-4-hexenyl ester
3-Phenylpropenoic acid 3,7-dimethyl-1,6-octadien-3-yl ester
3-phenyl-2-propenoicacid,1,5-dimethyl-1-vinyl-4-hexen-1-ylester
2-Propenoicacid,3-phenyl-,1-ethenyl-1,5-dimethyl-4-hexenylester
2-propenoicacid,3-phenyl-,1,5-dimethyl-1-vinyl-4-hexen-1-ylester
3-Phenyl-2-propenoic acid 1-ethenyl-1,5-dimethyl-4-hexenyl ester
3-Phenyl-2-propenoic acid 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
2-Propenoic acid, 3-phenyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
[EINECS(EC#)]

201-110-3
[Molecular Formula]

C19H24O2
[MDL Number]

MFCD00048303
[MOL File]

78-37-5.mol
[Molecular Weight]

284.39
Chemical PropertiesBack Directory
[Boiling point ]

396℃
[density ]

0.989
[FEMA ]

2641 | LINALYL CINNAMATE
[refractive index ]

1.4709 (estimate)
[Fp ]

216℃
[storage temp. ]

2-8°C
[color ]

An almost colourless oily or slightly viscous liquid
[Odor]

at 100.00 %. sweet balsam lily neroli labdanum amber
[Odor Type]

balsamic
[JECFA Number]

668
[LogP]

6.04
[CAS DataBase Reference]

78-37-5
[EPA Substance Registry System]

2-Propenoic acid, 3-phenyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester (78-37-5)
Hazard InformationBack Directory
[Description]

Linalyl cinnamate has a sweet, persistent odor with soft floral notes. It is clearly balsamic. It has a slightly fruity flavor. May be synthesized from linalyl formate plus methylcinnamate and sodium linalool: by "Roche" method from dehydrolinalool and cinnamic acid via the dehydro ester, which is hydrolyzed to the subject compound.
[Chemical Properties]

Linalyl cinnamate has a sweet, persistent odor with soft floral notes; clearly balsamic. It has a slightly fruity flavor.
[Occurrence]

Has apparently not been reported to occur in nature
[Uses]

It is used as a fragrance in soaps, detergents, creams, lotions, and perfumes.
[Definition]

ChEBI: Linalyl cinnamate is a cinnamate ester.
[Preparation]

From linalyl formate plus methylcinnamate and sodium linalool; by “Roche” method from dehydrolinalool and cinnamic acid via the dehydro ester, which is hydrolyzed to the subject compound.
[Production Methods]

Linayl cinnamate is formed from the reaction of linayl formate with methyl cinnamate and linalool sodium or from the reaction of dehydrolinalool with cinnamic acid.
[Synthesis]

Linalyl cinnamate is prepared:
1) from Linalyl formate plus Methylcinnamate plus Linalool sodium.
2) from Dehydrolinalool and Cinnamic acid via the Dehydro-ester, which is hydrolyzed to the subject ester. ("Roche"-method). 
Safety DataBack Directory
[Toxicity]

The acute oral LD50 value in rats was reported as 9.96 g/kg (Jenner, Hagan, Taylor, Cook & Fitzhugh, 1964). The acute dermal LD50 value in rabbits exceeded 5 g/kg
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