(E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one supplier

Name
(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE
EINECS 246-430-4
CAS No. 24720-09-0
Article Data22
CAS DataBase
Density 0.898 g/cm³
Solubility 140mg/L at 20℃
Melting Point
Formula C₁₃H₂₀O
Boiling Point 267.1 °C at 760 mmHg
Molecular Weight 192.301
Flash Point 105.7 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
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-;
PSA 17.07000
LogP 3.51410

(E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one 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

Product Name

(E)-1-(2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-2-EN-1-ONE

(E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one Specification

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