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Benzyl mandelate

Benzyl mandelate structure

CAS No:
890-98-2
Formula:
C15H14O3
Chemical Name:
Benzyl mandelate
Synonyms:
Benzeneacetic acid,α-hydroxy-,phenylmethyl ester;Mandelic acid,benzyl ester;Benzyl mandelate;Phenylglycolic acid benzyl ester;Benzylin;Spasmolyt;DL-Mandelic acid benzyl ester;(±)-Benzyl mandelate;NSC 9522;Diphenylmethyl mandelate;(+/-)-(Phenyl)methyl 2-hydroxy-2-phenylacetate;80409-16-1

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Benzyl mandelate Basic Attributes

Molecular Weight：

242.26986

Exact Mass：

242.27

EC Number：

212-965-7

NSC Number：

9522

HScode：

2918199090

Characteristics

PSA：

46.5

XLogP3：

2.82

Density：

1.2±0.1 g/cm3

Melting Point：

93 °C

Boiling Point：

386.8±27.0 °C at 760 mmHg

Flash Point：

163.0±16.5 °C

Refractive Index：

1.594

Safety Information

wgk germany：

hazard class code：

safety instructions：

22-24/25

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

benzylmandelate

Computed Properties

Molecular Weight:242.27
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:242.094294304
Monoisotopic Mass:242.094294304
Topological Polar Surface Area:46.5
Heavy Atom Count:18
Complexity:253
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzyl mandelate

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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Benzyl mandelate

SDS

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