ethyl mandelate

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Names

[ CAS No. ]:
774-40-3

[ Name ]:
ethyl mandelate

[Synonym ]:
Ethyl-hydroxybenzeneacetate
MFCD00004494
ETHYL DL-MANDELATE
DL-ETHYL MANDELATE
ETHYL MANDELATE
EINECS 212-263-0
MANDELIC ACID ETHYL ESTER
ETHYL PHENYLGLYCOLATE
Mandelsaeureaethylester
l-hydroxyphenylacetate
Benzeneacetic acid, a-hydroxy-, ethyl ester
mandelic ethyl ester

Chemical & Physical Properties

[ Density]:
1.115 g/mL at 25ºC(lit.)

[ Boiling Point ]:
254ºC at 760 mmHg

[ Melting Point ]:
37ºC

[ Molecular Formula ]:
C10H12O3

[ Molecular Weight ]:
180.20000

[ Flash Point ]:
118.1ºC

[ Exact Mass ]:
180.07900

[ PSA ]:
46.53000

[ LogP ]:
1.28310

[ Index of Refraction ]:
n20/D 1.512(lit.)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO7397000
CHEMICAL NAME :
Mandelic acid, ethyl ester
CAS REGISTRY NUMBER :
774-40-3
BEILSTEIN REFERENCE NO. :
0975233
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H12-O3
MOLECULAR WEIGHT :
180.22
WISWESSER LINE NOTATION :
QYR&VO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,347,1962

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36

[ Safety Phrases ]:
37/39-26

[ WGK Germany ]:
2

[ RTECS ]:
OO7397000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl glyoxylate
  • Phenylboronic acid
  • Ethyl oxophenylacetate
  • Ethanol
  • Mandelic acid
  • 5-phenyl-1,3-dioxolane-2,4-dione
  • 2-((3,5-di-tert-butyl-1-methyl-4-oxocyclohexa-2,5-dien-1-yl)oxy)-2-phenylacetic acid
  • Diethylzinc
  • ETHYLMAGNESIUM BROMIDE
  • TRIMETHYL(PHENYL)TIN

DownStream

  • 2,2-bis(2-methoxyphenyl)-1-phenylethanone
  • 1,4-Dibenzoylbutane
  • (+/-)-Mandelamide
  • Phenyl ethyl ketone
  • 2-Phenylacetophenone
  • 2-Cyclohexylethanol
  • Cyclohexaneacetic acid,ethyl ester
  • 4-Chloro-1-oxo-1-phenylbutane
  • 2,N-DIHYDROXY-2-PHENYL-ACETAMIDE
  • pentyl 2-hydroxy-2-phenyl-acetate

Related Compounds

  • ethyl mandelate
  • (S)-O-acetyl ethyl mandelate
  • Ethyl (R)-(-)-Mandelate
  • Ethyl (R)-(-)-Mandelate
  • Ethyl 3-hydroxy-4-methoxy-mandelate
  • ETHYL 2-((TERT-BUTOXYCARBONYL)AMINO)THIAZOLE-5-CARBOXYLATE
  • 4-Chloro-6-(difluoromethyl)-3-fluoropicolinaldehyde
  • 4-Ethylbenzo[d]oxazole-2-carbonyl chloride
  • 4-Cyano-2-difluoromethoxy-3-mercaptophenylacetic acid
  • 4-Fluoro-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)pyridine
  • 4-Cyano-2-fluoro-6-formylbenzoic acid
  • 4-Cyano-3-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride
  • 2-(Difluoromethyl)-3-methoxy-6-methylisonicotinonitrile
  • 1,3-Dimethyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
  • 2-(4-(Difluoromethyl)-2-fluoropyridin-3-yl)acetonitrile
  • 4-Bromo-3-(difluoromethyl)-2-fluoropyridine-5-carboxamide
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