ChemicalBook--->CAS DataBase List--->23726-91-2

23726-91-2

23726-91-2 Structure

23726-91-2 Structure
IdentificationBack Directory
[Name]

DAMASCONE
[CAS]

23726-91-2
[Synonyms]

DAMASCONE
FEMA 3243
β-Damascone
DAMASCON-BETA
(E)-β-Damascone
rosedihydroketone
DORINONE BETA FAB
DAMASCONE, B-(RG)
(e)-beta-damascone
trans-beta-damascone
trans-.beta.-Damascone
Ethyl ketone bit Turkic
trans-2,6,6-Trimethyl-1-crotonylcyclohex-1-ene
6,6-trimethylcyclohex-1-enyl)-1-((e)-2-buten-1-on
1-[2,6,6-Trimethyl-1-cyclohexen-1-yl]-2-buten-1-one
(e)-1-(2,6,6-trimethylcyclohex-1-enyl)-2-buten-1-one
(E)-1-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-1-one
2,6,6-trimethyl-1-trans-crotonoyl-1,3-cyclohexadiene
6,6-trimethyl-1-cyclohexen-1-yl)-1-((e)-2-buten-1-on
(E)-1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one
(E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-on
(E)-1-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-2-en-1-one
(E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
(2E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-on
1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-,(E)-2-Buten-1-one
2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYLCYCLOHEX-1-ENYL)-, (E)-
TRANS-4-(2,6,6-TRIMETHYLCYCLOHEX-1-ENYL)-BUT-2-ENE-4-ONE
BETA-1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2-BUTEN-1-ONE
2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-
Synthetic Flavour and Fragrance (E) -Beta-Damascone CAS: 23726-91-2
(E)-β-damascone,(2E)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one,trans-β-damascone
[EINECS(EC#)]

245-842-1
[Molecular Formula]

C13H20O
[MDL Number]

MFCD00661756
[MOL File]

23726-91-2.mol
[Molecular Weight]

192.3
Chemical PropertiesBack Directory
[Boiling point ]

271℃
[density ]

0.934 g/mL at 20 °C(lit.)
[vapor pressure ]

2.6Pa at 25℃
[FEMA ]

3243 | 1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2-BUTEN-1-ONE
[refractive index ]

n20/D 1.498
[Fp ]

108℃
[storage temp. ]

-20°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly)
[form ]

Oil
[color ]

Colourless to Pale Yellow
[Odor]

at 1.00 % in dipropylene glycol. fruity floral berry plum blackcurrant honey rose tobacco
[Odor Type]

fruity
[Water Solubility ]

192.3mg/L(25 ºC)
[JECFA Number]

384
[BRN ]

2046078
[Stability:]

Light Sensitive
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+
[InChIKey]

BGTBFNDXYDYBEY-FNORWQNLSA-N
[SMILES]

C\C=C\C(=O)C1=C(C)CCCC1(C)C
[LogP]

3.68
[EPA Substance Registry System]

2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)- (23726-91-2)
Safety DataBack Directory
[Symbol(GHS) ]

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

Warning
[Hazard statements ]

H315-H317-H411
[Precautionary statements ]

P261-P264-P272-P273-P280-P302+P352
[Hazard Codes ]

Xi
[Risk Statements ]

43
[Safety Statements ]

36/37
[WGK Germany ]

2
[RTECS ]

EN0340000
[F ]

10-23
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29142990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Chronic 2
Skin Irrit. 2
Skin Sens. 1B
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack Directory
[Chemical Properties]

Colorless to pale yellow liquid. Boiling point 52°C (0.13 Pa), relative density 0.930, refractive index 1.4957. Has a rose-like aroma.
[Uses]

(E)-β-Damascone is an odorant found in some food, tea and tobacco plants. It is found to inhibit lipopolysaccharide mediated nitric oxide production through nuclear factor E2-related protein 2 signaling in human colon adenocarcinoma and mouse macrophage.
[Definition]

ChEBI: 4-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-one is an enone.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 94, p. 9128, 1972 DOI: 10.1021/ja00781a023
[Flammability and Explosibility]

Nonflammable
Spectrum DetailBack Directory
[Spectrum Detail]

DAMASCONE(23726-91-2)1HNMR
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