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

Modify Date: 2024-01-31 19:30:15

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

 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

methyl chloroacetate structure

methyl chloroacetate

CAS#:96-34-4
3-Methyl-2-pentanone structure

3-Methyl-2-pentanone

CAS#:565-61-7

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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 ;
3-methyl-3-penten-2-ol structure

3-methyl-3-pent...

CAS#:565-62-8

~%

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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