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1838-94-4,MFCD00075225
Catalog No.:AA003R1M

1838-94-4 | 2-Methyl-2-vinyloxirane

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$91.00   $64.00
- +
5g
97%
in stock  
$250.00   $175.00
- +
10g
97%
in stock  
$456.00   $319.00
- +
25g
95%
in stock  
$663.00   $464.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003R1M
Chemical Name:
2-Methyl-2-vinyloxirane
CAS Number:
1838-94-4
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
MDL Number:
MFCD00075225
SMILES:
CC1(CO1)C=C
NSC Number:
48598
Properties
Properties
 
BP:
79.5-80.5 °C(lit.)  
Form:
Liquid  
Refractive Index:
n20/D 1.416(lit.)  
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
78  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.7  

Literature

Title: Identification and characterization of 2'-deoxyadenosine adducts formed by isoprene monoepoxides in vitro.

Journal: Chemical research in toxicology 20110718

Title: DNA-damaging ability of isoprene and isoprene mono-epoxide (EPOX I) in human cells evaluated with the comet assay.

Journal: Mutation research 20070420

Title: Hemoglobin adducts and micronuclei in rodents after treatment with isoprene monoxide or butadiene monoxide.

Journal: Mutation research 20050801

Title: Direct vinylogous Mannich-type reactions via ring opening and rearrangement of vinyloxiranes.

Journal: Organic letters 20040205

Title: Stereochemical and kinetic comparisons of mono- and diepoxide formation in the in vitro metabolism of isoprene by liver microsomes from rats, mice, and humans.

Journal: Chemical research in toxicology 20030701

Title: Prediction of isoprene diepoxide levels in vivo in mouse, rat and man using enzyme kinetic data in vitro and physiologically-based pharmacokinetic modelling.

Journal: Chemico-biological interactions 20011221

Title: Metabolism and molecular toxicology of isoprene.

Journal: Chemico-biological interactions 20010601

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SDS
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Tags:1838-94-4 Molecular Formula|1838-94-4 MDL|1838-94-4 SMILES|1838-94-4 2-Methyl-2-vinyloxirane
Catalog No.: AA003R1M
1838-94-4,MFCD00075225
1838-94-4 | 2-Methyl-2-vinyloxirane
Pack Size： 1g
Purity： 97%
in stock
$91.00 $64.00
Pack Size： 5g
Purity： 97%
in stock
$250.00 $175.00
Pack Size： 10g
Purity： 97%
in stock
$456.00 $319.00
Pack Size： 25g
Purity： 95%
in stock
$663.00 $464.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003R1M
Chemical Name: 2-Methyl-2-vinyloxirane
CAS Number: 1838-94-4
Molecular Formula: C5H8O
Molecular Weight: 84.1164
MDL Number: MFCD00075225
SMILES: CC1(CO1)C=C
NSC Number: 48598
Properties
BP: 79.5-80.5 °C(lit.)  
Form: Liquid  
Refractive Index: n20/D 1.416(lit.)  
Storage: -20 ℃;  
Complexity: 78  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 6  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.7  
Literature fold

Title: Identification and characterization of 2'-deoxyadenosine adducts formed by isoprene monoepoxides in vitro.

Journal: Chemical research in toxicology20110718

Title: DNA-damaging ability of isoprene and isoprene mono-epoxide (EPOX I) in human cells evaluated with the comet assay.

Journal: Mutation research20070420

Title: Hemoglobin adducts and micronuclei in rodents after treatment with isoprene monoxide or butadiene monoxide.

Journal: Mutation research20050801

Title: Direct vinylogous Mannich-type reactions via ring opening and rearrangement of vinyloxiranes.

Journal: Organic letters20040205

Title: Stereochemical and kinetic comparisons of mono- and diepoxide formation in the in vitro metabolism of isoprene by liver microsomes from rats, mice, and humans.

Journal: Chemical research in toxicology20030701

Title: Prediction of isoprene diepoxide levels in vivo in mouse, rat and man using enzyme kinetic data in vitro and physiologically-based pharmacokinetic modelling.

Journal: Chemico-biological interactions20011221

Title: Metabolism and molecular toxicology of isoprene.

Journal: Chemico-biological interactions20010601

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