ChemicalBook--->CAS DataBase List--->1117-52-8

1117-52-8

1117-52-8 Structure

1117-52-8 Structure
IdentificationMore
[Name]

(5E,9E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one
[CAS]

1117-52-8
[Synonyms]

2,6,10-trimethyl-2,6,10-pentadecatrien-14-one
(5E,9E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one
6,10,14-TRIMETHYL-5,9,13-PENTADECATRIEN-2-ONE
FARNESYLACETONE
FARNEZYLACETONE
FEMA 3442
(5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one
5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-
(E,E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
(E,E)-farnesylacetone,(5E,9E)-6,10,14-trimethyl-5,9,13-pentadecatrien-2-one,farnesylacetone,
Farnesylaceton
5,9,13-Pentadecatrien-2-one, 6,10,
Farnesyl acetone
[EINECS(EC#)]

212-097-9
[Molecular Formula]

C18H30O
[MDL Number]

MFCD00036517
[Molecular Weight]

262.43
[MOL File]

1117-52-8.mol
Chemical PropertiesBack Directory
[Boiling point ]

147-148 °C(Press: 0.5 Torr)
[density ]

0.88 g/mL at 20 °C(lit.)
[FEMA ]

4213
[refractive index ]

n20/D 1.481
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMSO (Sparingly), Ethyl Acetate (Slightly), Methanol (Sparingly)
[form ]

Oil
[color ]

Colourless
[Odor]

flower ether
[Stability:]

Light Sensitive
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
[InChIKey]

LTUMRKDLVGQMJU-IUBLYSDUSA-N
[SMILES]

CC(=O)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C
[LogP]

6.16
[CAS DataBase Reference]

1117-52-8(CAS DataBase Reference)
[NIST Chemistry Reference]

5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (e,e)-(1117-52-8)
[EPA Substance Registry System]

1117-52-8(EPA Substance)
Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

2
[TSCA ]

TSCA listed
[HS Code ]

29141900
Hazard InformationBack Directory
[Uses]

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.
[Definition]

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

(5E,9E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one(1117-52-8)1HNMR
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