2-Oxiranecarboxylicacid, 3-methyl-3-(1-methylpropyl)-, methyl ester

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Names

[ CAS No. ]:
72569-66-5

[ Name ]:
2-Oxiranecarboxylicacid, 3-methyl-3-(1-methylpropyl)-, methyl ester

[Synonym ]:
3-sec-Butyl-3-methylglycidic acid methyl ester
GLYCIDIC ACID,3-sec-BUTYL-3-METHYL-,METHYL ESTER
3-sec-butyl-3-methyloxirane-2-carboxylic acid methyl ester
methyl 3-sec-butyl-3-methylglycidate
2,3-epoxy-3,4-dimethyl-hexanoic acid methyl ester
Glycidic acid,methyl ester
2,3-Epoxy-3,4-dimethyl-hexansaeure-methylester

Chemical & Physical Properties

[ Density]:
1.019g/cm3

[ Boiling Point ]:
187.2ºC at 760 mmHg

[ Molecular Formula ]:
C9H16O3

[ Molecular Weight ]:
172.22200

[ Flash Point ]:
68.6ºC

[ Exact Mass ]:
172.11000

[ PSA ]:
38.83000

[ LogP ]:
1.36300

[ Index of Refraction ]:
1.444

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MB4950000
CHEMICAL NAME :
Glycidic acid, 3-sec-butyl-3-methyl-, methyl ester
CAS REGISTRY NUMBER :
72569-66-5
BEILSTEIN REFERENCE NO. :
0123065
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H16-O3
MOLECULAR WEIGHT :
172.25
WISWESSER LINE NOTATION :
2Y1&Y1&VVO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
178 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00411

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • methyl chloroacetate
  • 3-Methyl-2-pentanone
  • 3-methyl-3-penten-2-ol

DownStream

  • Pentanal, 2,3-dimethyl-
  • 2-Methyl-2-(1-methylpropyl)propane-1,3-diol

Related Compounds

  • 1,1,3-Tribromo-1-fluoropropane
  • 1-[(2-Fluorophenyl)methyl]-6-methoxy-3-(4-methylbenzoyl)-1,4-dihydroquinolin-4-one
  • ethyl 2-[(1E)-5-bromo-1,2,3,4-tetrahydronaphthalen-1-ylidene]acetate
  • Benzene, [(1,3-butadienylsulfonyl)methyl]-, (Z)-
  • ethyl 2-[(1E)-4-bromo-2,3-dihydro-1H-inden-1-ylidene]acetate
  • Rel-ethyl (1S,3R)-1-((tert-butoxycarbonyl)amino)-3-hydroxycyclopentane-1-carboxylate
  • (R)-5,5-Difluorotetrahydro-2H-pyran-2-carboxylic acid
  • (1S,3S)-2-[4-(6-Amino-purin-9-yl)-cyclopent-2-enyl]-N-hydroxy-acetamide
  • 3-Propoxy-pyrrolidine HCl
  • 2,3,4,5,6,7-hexahydro-1H-indole
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