U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O2
Molecular Weight 128.169
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 3-METHYLCROTONATE

SMILES

CCOC(=O)C=C(C)C

InChI

InChIKey=UTXVCHVLDOLVPC-UHFFFAOYSA-N
InChI=1S/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C7H12O2
Molecular Weight 128.169
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
A novel biosynthetic pathway providing precursors for fatty acid biosynthesis and secondary metabolite formation in myxobacteria.
2002 Sep 6
Gas-phase reactivity of the O=P(OCH3)2 + phosphonium ion towards alpha,beta-unsaturated esters in a quadrupole ion trap.
2005 Apr
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:07:09 GMT 2023
Edited
by admin
on Sat Dec 16 08:07:09 GMT 2023
Record UNII
2Z69LO3855
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL 3-METHYLCROTONATE
Systematic Name English
ETHYL DIMETHYLACRYLATE
Systematic Name English
ETHYL 3-METHYL-2-BUTENOATE
Systematic Name English
3-METHYL-2-BUTENOIC ACID ETHYL ESTER
Systematic Name English
NSC-99208
Code English
CROTONIC ACID, 3-METHYL-, ETHYL ESTER
Systematic Name English
ETHYL ISOBUTENOATE
Systematic Name English
SENECIOIC ACID, ETHYL ESTER
Systematic Name English
2-BUTENOIC ACID, 3-METHYL-, ETHYL ESTER
Systematic Name English
ETHYL SENECIOATE
Systematic Name English
ETHYL .BETA.,.BETA.-DIMETHYLACRYLATE
Systematic Name English
ETHYL ISOPROPYLIDENEACETATE
Systematic Name English
ETHYL 3,3-DIMETHYLACRYLATE
Systematic Name English
NSC-61853
Code English
Code System Code Type Description
NSC
61853
Created by admin on Sat Dec 16 08:07:09 GMT 2023 , Edited by admin on Sat Dec 16 08:07:09 GMT 2023
PRIMARY
NSC
99208
Created by admin on Sat Dec 16 08:07:09 GMT 2023 , Edited by admin on Sat Dec 16 08:07:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID0060931
Created by admin on Sat Dec 16 08:07:09 GMT 2023 , Edited by admin on Sat Dec 16 08:07:09 GMT 2023
PRIMARY
FDA UNII
2Z69LO3855
Created by admin on Sat Dec 16 08:07:09 GMT 2023 , Edited by admin on Sat Dec 16 08:07:09 GMT 2023
PRIMARY
CAS
638-10-8
Created by admin on Sat Dec 16 08:07:09 GMT 2023 , Edited by admin on Sat Dec 16 08:07:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
211-319-1
Created by admin on Sat Dec 16 08:07:09 GMT 2023 , Edited by admin on Sat Dec 16 08:07:09 GMT 2023
PRIMARY
PUBCHEM
12516
Created by admin on Sat Dec 16 08:07:09 GMT 2023 , Edited by admin on Sat Dec 16 08:07:09 GMT 2023
PRIMARY