ChemicalBook--->CAS DataBase List--->23726-93-4

23726-93-4

23726-93-4 Structure

23726-93-4 Structure
IdentificationBack Directory
[Name]

beta-Damascenone
[CAS]

23726-93-4
[Synonyms]

Doricenon
Doricenone
B-DAMASCENONE
beta-Damascenone
(E)-β-Damascenone
trans-Damascenone
trans-β-Damascenone
β-Damascenone, 90% DISCONTINUED, UNSTABLE
β-damascenone,trans-β-damascenone,(E)-β-damascenone
trans-2,6,6-Trimethyl-1-crotonylcyclohexa-1,3-diene
1-(2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIENYL)-2-BUTEN-1-ONE
(E)-1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-buten-1-one
(E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
(2E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
[EINECS(EC#)]

245-844-2
[Molecular Formula]

C13H18O
[MDL Number]

MFCD00101024
[MOL File]

23726-93-4.mol
[Molecular Weight]

190.281
Chemical PropertiesBack Directory
[Appearance]

Pale Yellow to Yellow Liquid
[Melting point ]

116-1180C
[Boiling point ]

116 °C(Press: 13 Torr)
[density ]

0.926±0.06 g/cm3(Predicted)
[vapor pressure ]

3Pa at 25℃
[storage temp. ]

Store at room temperature
[Odor]

at 1.00 % in dipropylene glycol. apple rose honey tobacco sweet
[Odor Type]

fruity
[Water Solubility ]

188mg/L at 20℃
[Cosmetics Ingredients Functions]

FRAGRANCE
PERFUMING
[LogP]

3.4 at 25℃
[CAS DataBase Reference]

23726-93-4
[NIST Chemistry Reference]

2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (e)-(23726-93-4)
[EPA Substance Registry System]

2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien- 1-yl)-, (2E)-(23726-93-4)
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow to Yellow Liquid
[Uses]

A terpenic ketone; odorant in fruits, vegetables, honey, wine and beer
[Definition]

ChEBI: Beta-damascenone is a cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group. It has a role as a fragrance, a volatile oil component and a plant metabolite. It is an enone, an apo carotenoid monoterpenoid and a cyclic monoterpene ketone.
[Flammability and Explosibility]

Nonflammable
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H411-H315-H317
[Precautionary statements ]

P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
[TSCA ]

TSCA listed
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Citral-->Damascenone-->DAMASCENONE-->2-Buten-1-one, 1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)--->2,2,6-TRIMETHYLCYCLOHEXANONE-->(2E)-1-[3-(Acetyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-2-buten-1-one-->1-[3-(Acetyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-3-methoxy-1-butanone
Spectrum DetailBack Directory
[Spectrum Detail]

beta-Damascenone(23726-93-4)1HNMR
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