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BENZYL DL-MANDELATE

BENZYL DL-MANDELATE structure

CAS No:
890-98-2
Formula:
C15H14O3
Chemical Name:
BENZYL DL-MANDELATE
Synonyms:
DL-MANDELIC ACID BENZYL ESTER 98+%;Benzyl-DL-mandelat;mandelic acid benzyl ester;2-Hydroxy-2-phenylacetic acid benzyl ester;Hydroxyphenylacetic acid benzyl ester;Phenylhydroxyacetic acid benzyl ester;α-Hydroxybenzeneacetic acid benzyl ester;α-Hydroxybenzeneacetic acid phenylmethyl ester

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BENZYL DL-MANDELATE Basic Attributes

Molecular Weight：

242.27

Exact Mass：

242.27

EC Number：

212-965-7

NSC Number：

9522

Color/Form：

White to Almost white

HScode：

2918.19.1500

Characteristics

PSA：

46.5

XLogP3：

2.82

Density：

1.204±0.06 g/cm3(Predicted)

Melting Point：

93-95 °C

Boiling Point：

386.8±27.0 °C(Predicted)

Flash Point：

163.0±16.5 °C

Refractive Index：

1.594

PKA：

12.15±0.20(Predicted)

Safety Information

wgk germany：

hazard class code：

safety instructions：

22-24/25

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

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 DL-MANDELATE

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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BENZYL DL-MANDELATE

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