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Linalyl isobutyrate

Linalyl isobutyrate structure

CAS No:
78-35-3
Formula:
C14H24O2
Chemical Name:
Linalyl isobutyrate
Synonyms:
Propanoic acid,2-methyl-,1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester;Isobutyric acid,1,5-dimethyl-1-vinyl-4-hexenyl ester;Propanoic acid,2-methyl-,1-ethenyl-1,5-dimethyl-4-hexenyl ester;Isobutyric acid,linalyl ester;1,6-Octadien-3-ol,3,7-dimethyl-,isobutyrate;Linalool isobutyrate;Linalyl isobutyrate;NSC 46145;94346-07-3
Categories:
Cosmetic Ingredient > Perfuming

Description

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

Solid|colourless to slightly yellow liquid with a sweet, fresh, rosy odour

Linalyl isobutyrate is a monoterpenoid.

Linalyl isobutyrate Basic Attributes

Molecular Weight：

224.34

Exact Mass：

224.34

EC Number：

201-108-2

NSC Number：

46145

DSSTox ID：

DTXSID6047490

HScode：

2915600000

Characteristics

PSA：

26.3

XLogP3：

3.87670

Appearance：

Solid

Density：

0.89g/cm3

Melting Point：

< 25 °C

Boiling Point：

63-65 °C @ Press: 0.1 Torr

Flash Point：

73.3ºC

Refractive Index：

1.453

Water Solubility：

insoluble in water; miscible with alcohol and ether

Safety Information

safety instructions：

S26-S37/39

Marks：

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H411

GHS Classification：

|H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 1601 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

3,7-dimethyl-1,6-octadien-3-yl isobutyrate

Linalyl isobutyrate Use and Manufacturing

Methods of Manufacturing

It is derived from esterification of isobutyric anhydride and linalool.

Uses

GB 2760-1996 stipulates the allowable food flavors. It is mainly used to formulate black currant, cherry and berry flavors.

Manufacturing Info：

Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:224.34
XLogP3:4.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:224.177630004
Monoisotopic Mass:224.177630004
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Complexity:273
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Learn More Other Chemicals

2-((2-cyanoethyl)(phenyl)amino)ethyl isobutyrate

156814-31-2
3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-5-yl isobutyrate

67634-20-2
Thymyl isobutyrate

5451-67-2
Chromomycinone,6-(4-O-α-olivomosyl-β-olioside) 2-(O-α-olivomycosyl-(1→3)-O-β-olivosyl-(1→3)-β-olivoside),acetate isobutyrate Formula

6992-70-7
(-)-Bornyl isobutyrate Formula

85586-66-9
Isobornyl isobutyrate Formula

85586-67-0
Propyl isobutyrate Structure

644-49-5
Neryl isobutyrate Structure

2345-24-6
What is Piperonyl isobutyrate

5461-08-5
What is Heptyl isobutyrate

2349-13-5

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Guide of Linalyl isobutyrate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Linalyl isobutyrate

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