4-(Phenoxymethyl)benzoate supplier

Name
4-(PHENOXYMETHYL)BENZENECARBOXYLIC ACID
EINECS
CAS No. 31719-76-3
Article Data13
CAS DataBase
Density 1.222g/cm³
Solubility
Melting Point 223-226°C
Formula C₁₄H₁₁O₃-
Boiling Point 401.8 °C at 760 mmHg
Molecular Weight 228.247
Flash Point 154.8 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4-(PHENOXYMETHYL)BENZENECARBOXYLIC ACID;4-PHENOXYMETHYL-BENZOIC ACID;CHEMBRDG-BB 7035207;4-(phenoxymethyl)benzoic acid(SALTDATA: FREE);4-(PhenoxyMethyl)benzoate
PSA 46.53000
LogP 2.96380

4-(Phenoxymethyl)benzoate Specification

The 4-(Phenoxymethyl)benzoate, with the CAS registry number 31719-76-3, is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₄H₁₁O₃.

The characteristics of 4-(Phenoxymethyl)benzoate are as followings: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 46.53 Å²; (7)Flash Point: 154.8 °C; (8)Enthalpy of Vaporization: 68.85 kJ/mol; (9)Boiling Point: 401.8 °C at 760 mmHg; (10)Vapour Pressure: 3.53E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-]C(=O)c1ccc(cc1)COc2ccccc2
(2)InChI: InChI=1/C14H12O3/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2,(H,15,16)/p-1
(3)InChIKey: GRBUVHSYBRTCIB-REWHXWOFAB

Product Name

4-(PHENOXYMETHYL)BENZENECARBOXYLIC ACID

4-(Phenoxymethyl)benzoate Specification

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