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(±)-Ethyl mandelate

(±)-Ethyl mandelate structure

CAS No:
774-40-3
Formula:
C10H12O3
Chemical Name:
(±)-Ethyl mandelate
Synonyms:
Benzeneacetic acid,α-hydroxy-,ethyl ester;Mandelic acid,ethyl ester;Ethyl mandelate;Ethyl phenylglycolate;DL-Ethyl mandelate;dl-Mandelic acid ethyl ester;(±)-Ethyl mandelate;DL-Mandelic acid ethyl ester;(±)-α-Hydroxybenzeneacetic acid ethyl ester;(±)-Mandelic acid ethyl ester;Ethyl hydroxy(phenyl)acetate;Ethyl α-hydroxyphenylacetate;NSC 5307;Ethyl 2-hydroxy-2-phenylacetate;Ethyl α-hydroxybenzeneacetate;Ethyl amygdalate;Ethyl 2-phenyl-2-hydroxyacetate;4358-88-7;1147491-52-8
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

clear colorless to yellowish liquid after melting

Ethyl hydroxy(phenyl)acetate is the ethyl ester of mandelic acid. It is an ethyl ester and a secondary alcohol. It derives from a mandelic acid.

(±)-Ethyl mandelate Basic Attributes

Molecular Weight：

180.2

Exact Mass：

180.20

EC Number：

212-263-0

NSC Number：

5307

DSSTox ID：

DTXSID6057829

HScode：

29181998

Characteristics

PSA：

46.5

XLogP3：

1.5

Appearance：

COLORLESS TO LIGHT YELLOW LIQUID

Density：

1.115 g/mL at 25ºC(lit.)

Melting Point：

35 °C

Boiling Point：

150 °C

Flash Point：

>230 °F

Refractive Index：

n20/D 1.512(lit.)

Storage Conditions：

Store below +30°C.

Safety Information

wgk germany：

hazard class code：

safety instructions：

37/39-26

RTECS Number：

OO7397000

Marks：

Precautionary statement(s)：

P280, P305+P351+P338, P310

Hazard Statements：

H318

GHS Classification：

|Danger|H318 (88.37%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, P310, and P337+P313|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

ethyl mandelate

(±)-Ethyl mandelate Use and Manufacturing

Intermediate of pemoline.

Computed Properties

Molecular Weight:180.20
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:180.078644241
Monoisotopic Mass:180.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:162
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ethyl Mandelate

CAS No.: 774-40-3

Grade: Industrial Grade

Content: 99%

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