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Linalyl isovalerate

Linalyl isovalerate structure

CAS No:
1118-27-0
Formula:
C15H26O2
Chemical Name:
Linalyl isovalerate
Synonyms:
Butanoic acid,3-methyl-,1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester;Isovaleric acid,1,5-dimethyl-1-vinyl-4-hexenyl ester;Butanoic acid,3-methyl-,1-ethenyl-1,5-dimethyl-4-hexenyl ester;Isovaleric acid,linalyl ester;1,6-Octadien-3-ol,3,7-dimethyl-,isovalerate;Linalyl isovalerate;Linalyl-3-methylbutanoate;50649-12-2
Categories:
Cosmetic Ingredient > Perfuming

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Description

Liquid

Liquid|colourless to pale yellow liquid with a sweet, fruity citrusy odour

Linalyl isovalerate Basic Attributes

Molecular Weight：

238.37

Exact Mass：

238.37

EC Number：

214-259-4

NSC Number：

46154

DSSTox ID：

DTXSID5047160

Characteristics

PSA：

26.30000

XLogP3：

4.26680

Appearance：

Liquid

Density：

0.885 g/mL at 25ºC(lit.)

Boiling Point：

188 °C(lit.)

Flash Point：

229 °F

Refractive Index：

n20/D 1.451(lit.)

Water Solubility：

insoluble in water, soluble in alcohol and oils

Vapor Pressure：

0.004mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

RG5927200

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 274 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

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

Linalyl isovalerate Use and Manufacturing

Manufacturing Info：

Butanoic acid, 3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:238.37
XLogP3:4.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:238.193280068
Monoisotopic Mass:238.193280068
Topological Polar Surface Area:26.3
Heavy Atom Count:17
Complexity:285
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Learn More Other Chemicals

Allyl isovalerate

2835-39-4
Cyclohexyl isovalerate

7774-44-9
Butyl isovalerate

109-19-3
3-Phenylpropyl isovalerate Formula

6947-66-6
Isobornyl isovalerate Formula

7779-73-9
Phenylethyl isovalerate Formula

140-26-1
Geranyl isovalerate Structure

109-20-6
Linalyl butyrate Structure

78-36-4
What is Isoamyl isovalerate

659-70-1
What is Menthyl isovalerate

16409-46-4

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Guide of Linalyl isovalerate

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

Linalyl isovalerate

SDS

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