Benzeneacetic acid, a-[(acetyloxy)methyl]- supplier

Name
a-((Acetyloxy)methyl)benzeneaceticacid
EINECS
CAS No. 14510-36-2
Article Data10
CAS DataBase
Density 1.22 g/cm³
Solubility
Melting Point 84 - 85 °C
Formula C₁₁H₁₂O₄
Boiling Point 348.201 °C at 760 mmHg
Molecular Weight 208.214
Flash Point 135.146 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Tropicacid, acetate (8CI);2-Phenyl-b-acetoxypropanoic acid;Acetyltropic acid;
PSA 63.60000
LogP 1.41790

Benzeneacetic acid, a-[(acetyloxy)methyl]- Specification

The CAS registry number of Benzeneacetic acid, a-[(acetyloxy)methyl]- is 14510-36-2. This chemical's molecular formula is C₁₁H₁₂O₄ and molecular weight is 208.2106. Its systematic name is called 3-(acetyloxy)-2-phenylpropanoic acid. What's more, this chemical can be used as intermediate in the synthesis of tropine and respective derivatives.

Physical properties of Benzeneacetic acid, a-[(acetyloxy)methyl]-: (1)ACD/LogP: 1.33; (2)ACD/LogD (pH 7.4): -2; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 53.043 cm³; (12)Molar Volume: 170.627 cm³; (13)Surface Tension: 47.7 dyne/cm; (14)Density: 1.22 g/cm³; (15)Flash Point: 135.146 °C; (16)Enthalpy of Vaporization: 62.534 kJ/mol; (17)Boiling Point: 348.201 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C(COC(C)=O)c1ccccc1
(2)InChI: InChI=1/C11H12O4/c1-8(12)15-7-10(11(13)14)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)
(3)InChIKey: OXGQBORIYFGJPM-UHFFFAOYAB

Product Name

a-((Acetyloxy)methyl)benzeneaceticacid

Benzeneacetic acid, a-[(acetyloxy)methyl]- Specification

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