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1-(Phenylmethyl) 2-phenylpropanedioate

1-(Phenylmethyl) 2-phenylpropanedioate structure

CAS No:
25774-02-1
Formula:
C16H14O4
Chemical Name:
1-(Phenylmethyl) 2-phenylpropanedioate
Synonyms:
Propanedioic acid,2-phenyl-,1-(phenylmethyl) ester;Malonic acid,phenyl-,monobenzyl ester;Propanedioic acid,phenyl-,mono(phenylmethyl) ester;1-(Phenylmethyl) 2-phenylpropanedioate;Monobenzyl phenylmalonate;2-Phenylmalonic acid monobenzyl ester;3-Oxo-2-phenyl-3-phenylmethoxypropanoic acid;122692-90-4

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1-(Phenylmethyl) 2-phenylpropanedioate Basic Attributes

Molecular Weight：

270.28000

Exact Mass：

270.28

EC Number：

247-257-7

HScode：

2918990090

Characteristics

PSA：

63.60000

XLogP3：

2.59820

Density：

1.258g/cm3

Melting Point：

64-66ºC

Boiling Point：

432.1ºC at 760mmHg

Flash Point：

160.2ºC

Refractive Index：

1.594

Vapor Pressure：

3.12E-08mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S36

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-(Phenylmethyl) 2-phenylpropanedioate Use and Manufacturing

Manufacturing Info：

Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester: INACTIVE

Computed Properties

Molecular Weight:270.28
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:270.08920892
Monoisotopic Mass:270.08920892
Topological Polar Surface Area:63.6
Heavy Atom Count:20
Complexity:327
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(Phenylmethyl) 2-phenylpropanedioate

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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