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

  • 3-(4-oxo-4H-pyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
  • 4-N-[(4-Chlorophenyl)-cyanomethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
  • N-[Cyano-(2,4-difluorophenyl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
  • N-[(3-Chlorophenyl)-cyanomethyl]-2-(oxolan-2-ylmethoxy)acetamide
  • N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]tetrazolo[1,5-a]pyridine-7-carboxamide
  • 2-[4-(2-methyl-2H-tetrazol-5-yl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
  • tert-butyl 8-bromo-3,4-dihydropyrazino[1,2-a]indole-2(1H)-carboxylate
  • Methyl 3-amino-7-methylbenzo[b]thiophene-2-carboxylate
  • N-(2-{[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)pyrazine-2-carboxamide
  • N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]-2,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide
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