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Farnesylacetone

Farnesylacetone structure

CAS No:
1117-52-8
Formula:
C18H30O
Chemical Name:
Farnesylacetone
Synonyms:
5,9,13-Pentadecatrien-2-one,6,10,14-trimethyl-,(5E,9E)-;5,9,13-Pentadecatrien-2-one,6,10,14-trimethyl-,(E,E)-;(5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one;Farnesylacetone;E,E-Farnesylacetone;trans,trans-Farnesylacetone;(E,E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one;(E,E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one;(5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatriene-2-one;Farnesylacetone A;(5E,9E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one;(5E,9E)-Farnesylacetone
Categories:
Cosmetic Ingredient > Perfuming

Description

ChEBI: A terpene ketone in which an (E,E)-farnesyl group is bonded to one of the alpha-methyls of acetone.

E,E-Farnesylacetone, is a natural organic compound which is present in many essential oils. It has been shown that, Farnesylacetone inhibits electron transport in isolated rat liver mitochondria.

Colourless or pale straw-coloured oily liquid; intensely sweet, floral odour

Farnesyl acetone is a terpene ketone in which an (E,E)-farnesyl group is bonded to one of the alpha-methyls of acetone. It has a role as a hormone and a metabolite. It contains a 2-trans,6-trans-farnesyl group.

Farnesylacetone Basic Attributes

Molecular Weight：

262.43

Exact Mass：

262.43

EC Number：

212-097-9

UNII：

3S0G4N267H

DSSTox ID：

DTXSID5061087

HScode：

2914190090

Characteristics

PSA：

17.1

XLogP3：

5.6

Appearance：

Colourless or pale straw-coloured oily liquid; intensely sweet, floral odour

Density：

0.8900 g/cm³ @ Temp: 20 °C

Boiling Point：

147-148 °C @ Press: 0.5 Torr

Flash Point：

140.4±8.9 °C

Refractive Index：

n 20/D 1.481

Water Solubility：

soluble in water; soluble in oils

Vapor Pressure：

9.39E-06mmHg at 25°C

Safety Information

wgk germany：

safety instructions：

24/25

Precautionary statement(s)：

P264, P273, P280, P302+P352, P321, P332+P313, P362, P391, P501

Hazard Statements：

H315

GHS Classification：

Not Classified

Drug Information

MeSH Entry Terms：

farnesylacetone

Farnesylacetone Use and Manufacturing

Uses

Flavoring Agents -> JECFA Flavorings Index

Manufacturing Info：

5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (5E,9E)-: ACTIVE|5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:262.4
XLogP3:5.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:9
Exact Mass:262.229665576
Monoisotopic Mass:262.229665576
Topological Polar Surface Area:17.1
Heavy Atom Count:19
Complexity:352
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

186581-53-3

Suppliers(6)

1033756-63-6

194548-45-3

1117-52-8

Suppliers(24)

86541-61-9

869878-11-5

87920-56-7

869878-12-6

232944-79-5

51921-98-3

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Hot Searches: 2 2 3-dimethylpentane; formula aluminium hydroxide; magnesium pyrophosphate formula; calcium bromide formula; ammonium formula; allura red ac

Guide of Farnesylacetone

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

Farnesylacetone

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