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Linalyl butyrate

Linalyl butyrate structure

CAS No:
78-36-4
Formula:
C14H24O2
Chemical Name:
Linalyl butyrate
Synonyms:
Butanoic acid,1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester;Butyric acid,1,5-dimethyl-1-vinyl-4-hexenyl ester;Butyric acid linalyl ester;Butanoic acid,1-ethenyl-1,5-dimethyl-4-hexenyl ester;1,6-Octadien-3-ol,3,7-dimethyl-,butyrate;3,7-Dimethyl-1,6-octadien-3-ol butyrate;3,7-Dimethyl-1,6-octadien-3-yl butyrate;Linalyl butyrate;Linalool butyrate;Linalyl butanoate;NSC 46144;3,7-Dimethylocta-1,6-dien-3-yl butanoate
Categories:
Cosmetic Ingredient > Perfuming

Description

Linalyl butyrate has a heavy-fruity, sweet, pear-like aroma. The flavor is reminiscent of certain types of honey on dilu tion. It is moderately stable. Linalyl Butyrate is a liquid with a fruity bergamot note and a subdued animalic tone. It is used in lavender perfumes and in many blossom compositions.

Liquid|colourless or yellowish liquid with a heavy-fruity, sweet, pear-like odour

Linalyl butyrate is a monoterpenoid.

Linalyl butyrate Basic Attributes

Molecular Weight：

224.34

Exact Mass：

224.34

EC Number：

201-109-8

NSC Number：

46144

Characteristics

PSA：

26.3

XLogP3：

4.02080

Appearance：

Liquid

Density：

0.892 g/mL at 25ºC(lit.)

Boiling Point：

80-82 °C @ Press: 0.2 Torr

Flash Point：

218 °F

Refractive Index：

n20/D 1.45(lit.)

Water Solubility：

soluble in alcohols and oils, slightly soluble in water

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H411

GHS Classification：

|H411 (97.44%): 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 312 companies from 3 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

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

Linalyl butyrate Use and Manufacturing

Methods of Manufacturing

It is synthesized by heating linalool and butyryl chloride in pyridine.

Uses

GB 2760---1996 stipulates the permitted food spices. Mainly used as bergamot, rose, clove and other flavors.

Manufacturing Info：

Butanoic acid, 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
XLogP3:4.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:224.177630004
Monoisotopic Mass:224.177630004
Topological Polar Surface Area:26.3
Heavy Atom Count:16
Complexity:262
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sodium benzoate

Methanol

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Guide of Linalyl butyrate

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

Linalyl butyrate

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