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23726-91-2

Basic Information
CAS No.: 23726-91-2
Name: DAMASCONE
Article Data: 16
Molecular Structure:
Molecular Structure of 23726-91-2 (DAMASCONE)
Formula: C13H20O
Molecular Weight: 192.301
Synonyms: 2-Buten-1-one,1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)- (8CI);(E)-b-Damascone;Damascone beta;trans-2,6,6-Trimethyl-1-crotonylcyclohex-1-ene;trans-b-Damascone;b-Damascone;b-Damascone, trans-;
EINECS: 245-842-1
Density: 0.907 g/cm3
Boiling Point: 271.2 °C at 760 mmHg
Flash Point: 108 °C
Solubility: 192.3mg/L(25 oC)
Appearance: pale yellow clear liquid
Hazard Symbols: IrritantXi
Risk Codes: 43
Safety: 36/37
PSA: 17.07000
LogP: 3.65820
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Chemistry

IUPAC Name: 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-
The MF of 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)- (23726-91-2) is C13H20O.

                                                
The MW of 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)- (23726-91-2) is 192.3.
Synonyms of 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)- (23726-91-2): (E)-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)-Beta-damascone ; 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-,(E)-2-Buten-1-one ; 6,6-Trimethyl-1-cyclohexen-1-yl)-1-((e)-2-buten-1-on ; 6,6-Trimethylcyclohex-1-enyl)-1-((e)-2-buten-1-on
Appearance: colorless or pale yellow clear liquid
Index of Refraction: 1.476 
EINECS: 245-842-1
Density: 0.907 g/ml 
Flash Point: 108 °C
Boiling Point: 271.2 °C
Storage temp: 2-8 °C

Uses

  2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)- (23726-91-2) is used  for modulation Roses essence,also used as a food flavor enhancer.

Production

β-violet alcohol by oxidation Debu saturated diols, and then use that formic acid treatment was finished.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2920mg/kg (2920mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 487, 1975.

Safety Profile

Safety information of 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)- (23726-91-2):
Hazard Codes  Xi
Risk Statements 
43  May cause sensitization by skin contact
Safety Statements 
36/37  Irritating to eyes and respiratory system
WGK Germany  2
RTECS  EN0340000
F  10-23