1'-Acetoxychavicol acetate supplier

Name
ACETOXYCHAVICOL ACETATE, D/L-1''-
EINECS
CAS No. 52946-22-2
Article Data7
CAS DataBase
Density 1.122 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₄O₄
Boiling Point 325.4 °C at 760 mmHg
Molecular Weight 234.252
Flash Point 157.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenemethanol,4-(acetyloxy)-a-ethenyl-,acetate, (S)-;Benzenemethanol, 4-(acetyloxy)-a-ethenyl-, acetate, (aS)- (9CI);1'-Acetoxychavicol acetate;Galangalacetate;
PSA 52.60000
LogP 2.40210

1'-Acetoxychavicol acetate Specification

The Benzenemethanol,4-(acetyloxy)-a-ethenyl-,1-acetate, (aS)-, with CAS registry number 52946-22-2, has the systematic name of (1S)-1-[4-(acetyloxy)phenyl]prop-2-en-1-yl acetate. Besides this, it is also called Acetoxychavicol acetate, d/l-1''-. And the chemical formula of this chemical is C₁₃H₁₄O₄.

Physical properties of Benzenemethanol,4-(acetyloxy)-a-ethenyl-,1-acetate, (aS)-: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.48; (6)ACD/BCF (pH 7.4): 16.48; (7)ACD/KOC (pH 5.5): 258.66; (8)ACD/KOC (pH 7.4): 258.66; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 62.54 cm³; (15)Molar Volume: 208.7 cm³; (16)Polarizability: 24.79×10^-24cm³; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.122 g/cm³; (19)Flash Point: 157.8 °C; (20)Enthalpy of Vaporization: 56.75 kJ/mol; (21)Boiling Point: 325.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000231 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)[C@@H](OC(=O)C)\C=C)C
(2)InChI: InChI=1/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1
(3)InChIKey: JAMQIUWGGBSIKZ-ZDUSSCGKBP
(4)Std. InChI: InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1
(5)Std. InChIKey: JAMQIUWGGBSIKZ-ZDUSSCGKSA-N

Product Name

ACETOXYCHAVICOL ACETATE, D/L-1''-

1'-Acetoxychavicol acetate Specification

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