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Details

Stereochemistry ACHIRAL
Molecular Formula C8H14O2
Molecular Weight 142.1956
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL CYCLOHEXANECARBOXYLATE

SMILES

COC(=O)C1CCCCC1

InChI

InChIKey=ZQWPRMPSCMSAJU-UHFFFAOYSA-N
InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3

HIDE SMILES / InChI
Molecular Formula C8H14O2
Molecular Weight 142.1956
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Patents

Patents

06956033
1
07091232
4
08063087
3
08785631
5
JPS58134046A
1
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:44:12 GMT 2023
Edited
by admin
on Fri Dec 15 17:44:12 GMT 2023
Record UNII
96144H696Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL CYCLOHEXANECARBOXYLATE
FHFI  
Systematic Name English
METHYL CYCLOHEXANOATE
Systematic Name English
FEMA NO. 3568
Code English
CYCLOHEXANECARBOXYLIC ACID, METHYL ESTER
Common Name English
VANILLA CARBOXYLATE
Common Name English
HEXAHYDROBENZOIC ACID METHYL ESTER
Systematic Name English
METHYL CYCLOHEXANECARBOXYLATE [FHFI]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION METHYL CYCLOHEXANECARBOXYLATE
Created by admin on Fri Dec 15 17:44:12 GMT 2023 , Edited by admin on Fri Dec 15 17:44:12 GMT 2023
Code System Code Type Description
FDA UNII
96144H696Q
Created by admin on Fri Dec 15 17:44:12 GMT 2023 , Edited by admin on Fri Dec 15 17:44:12 GMT 2023
PRIMARY
CAS
4630-82-4
Created by admin on Fri Dec 15 17:44:12 GMT 2023 , Edited by admin on Fri Dec 15 17:44:12 GMT 2023
PRIMARY
PUBCHEM
20748
Created by admin on Fri Dec 15 17:44:12 GMT 2023 , Edited by admin on Fri Dec 15 17:44:12 GMT 2023
PRIMARY
JECFA MONOGRAPH
895
Created by admin on Fri Dec 15 17:44:12 GMT 2023 , Edited by admin on Fri Dec 15 17:44:12 GMT 2023
PRIMARY
CHEBI
88845
Created by admin on Fri Dec 15 17:44:12 GMT 2023 , Edited by admin on Fri Dec 15 17:44:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID9074303
Created by admin on Fri Dec 15 17:44:12 GMT 2023 , Edited by admin on Fri Dec 15 17:44:12 GMT 2023
PRIMARY
ECHA (EC/EINECS)
225-050-2
Created by admin on Fri Dec 15 17:44:12 GMT 2023 , Edited by admin on Fri Dec 15 17:44:12 GMT 2023
PRIMARY
NIH
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