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

Modify Date: 2025-09-14 13:29:13

2-Oxiranecarboxylicacid, 3-methyl-3-(1-methylpropyl)-, methyl ester Structure
2-Oxiranecarboxylicacid, 3-methyl-3-(1-methylpropyl)-, methyl ester structure
Common Name 2-Oxiranecarboxylicacid, 3-methyl-3-(1-methylpropyl)-, methyl ester
CAS Number 72569-66-5 Molecular Weight 172.22200
Density 1.019g/cm3 Boiling Point 187.2ºC at 760 mmHg
Molecular Formula C9H16O3 Melting Point N/A
MSDS N/A Flash Point 68.6ºC

 Names

Name methyl 3-butan-2-yl-3-methyloxirane-2-carboxylate
Synonym More Synonyms

 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
InChIKey YXFJXZHEINXRQW-UHFFFAOYSA-N
SMILES CCC(C)C1(C)OC1C(=O)OC

 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

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

2-Oxiranecarbox...

CAS#:72569-66-5

Literature: Trubek Labor. Inc. Patent: US2889339 , 1956 ;

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

2-Oxiranecarbox...

CAS#:72569-66-5

Literature: International Flavors and Fragrances Inc.; Gavalda, Juan Adell; Narula, Anubhav P.S.; Perez, Ana Maria Collado Patent: US2014/81034 A1, 2014 ;

 Synonyms

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
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