CAS No.24720-09-0,(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	24720-09-0
Name:	(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE
Article Data:	22

Formula:	C₁₃H₂₀O
Molecular Weight:	192.301
Synonyms:	2-Buten-1-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)- (8CI);(E)-a-Damascone;trans-2,6,6-Trimethyl-1-crotonoyl-2-cyclohexene;trans-a-Damascone;a-Damascone,trans-;
EINECS:	246-430-4
Density:	0.898 g/cm³
Boiling Point:	267.1 °C at 760 mmHg
Flash Point:	105.7 °C
Solubility:	140mg/L at 20℃
Hazard Symbols:	Xi
Risk Codes:	43
Safety:	36/37
PSA:	17.07000
LogP:	3.51410

Total:31 Page 1 of 1 1

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Specification

The 2-Buten-1-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)-, with the CAS registry number 24720-09-0, is also known as alpha-Damascone. It belongs to the product category of Ketone Flavor. Its EINECS number is 246-430-4. This chemical's molecular formula is C₁₃H₂₀O and molecular weight is 192.2973. Its IUPAC name is called (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one.

Physical properties of 2-Buten-1-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)-: (1)ACD/LogP: 3.91; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.471; (5)Molar Refractivity: 59.82 cm³; (6)Molar Volume: 214 cm³; (7)Surface Tension: 27.9 dyne/cm; (8)Density: 0.898 g/cm³; (9)Flash Point: 105.7 °C; (10)Enthalpy of Vaporization: 50.51 kJ/mol; (11)Boiling Point: 267.1 °C at 760 mmHg; (12)Vapour Pressure: 0.0083 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It may cause sensitisation by skin contact. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC=CC(=O)C1C(=CCCC1(C)C)C
(2)Isomeric SMILES: C/C=C/C(=O)C1C(=CCCC1(C)C)C
(3)InChI: InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+
(4)InChIKey: CRIGTVCBMUKRSL-FNORWQNLSA-N