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Details

Stereochemistry RACEMIC
Molecular Formula C15H26O2
Molecular Weight 238.3657
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CITRONELLYL 2-METHYLBUT-2-ENOATE, (2E)-

SMILES

C\C=C(/C)C(=O)OCCC(C)CCC=C(C)C

InChI

InChIKey=UCFQYMKLDPWFHZ-MKMNVTDBSA-N
InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3/b14-6+

HIDE SMILES / InChI

Molecular Formula C15H26O2
Molecular Weight 238.3657
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:14:58 GMT 2023
Edited
by admin
on Fri Dec 15 18:14:58 GMT 2023
Record UNII
W3KE673ROS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CITRONELLYL 2-METHYLBUT-2-ENOATE, (2E)-
Systematic Name English
2-BUTENOIC ACID, 2-METHYL-, 3,7-DIMETHYL-6-OCTENYL ESTER, (E)-
Common Name English
CITRONELLYL TRANS-2-METHYL-2-BUTENOATE [FHFI]
Common Name English
CITRONELLYL TIGLATE
Systematic Name English
2-BUTENOIC ACID, 2-METHYL-, 3,7-DIMETHYL-6-OCTENYL ESTER, (2E)-
Common Name English
(±)-CITRONELLYL TRANS-2-METHYL-2-BUTENOATE
Common Name English
CITRONELLYL TRANS-2-METHYL-2-BUTENOATE, (±)-
Common Name English
2-BUTENOIC ACID, 2-METHYL-, 3,7-DIMETHYL-6-OCTEN-1-YL ESTER, (2E)-
Common Name English
FEMA NO. 4295
Code English
Code System Code Type Description
EPA CompTox
DTXSID3051911
Created by admin on Fri Dec 15 18:14:58 GMT 2023 , Edited by admin on Fri Dec 15 18:14:58 GMT 2023
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FDA UNII
W3KE673ROS
Created by admin on Fri Dec 15 18:14:58 GMT 2023 , Edited by admin on Fri Dec 15 18:14:58 GMT 2023
PRIMARY
ECHA (EC/EINECS)
246-426-2
Created by admin on Fri Dec 15 18:14:58 GMT 2023 , Edited by admin on Fri Dec 15 18:14:58 GMT 2023
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JECFA MONOGRAPH
1801
Created by admin on Fri Dec 15 18:14:58 GMT 2023 , Edited by admin on Fri Dec 15 18:14:58 GMT 2023
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PUBCHEM
6386037
Created by admin on Fri Dec 15 18:14:58 GMT 2023 , Edited by admin on Fri Dec 15 18:14:58 GMT 2023
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CAS
24717-85-9
Created by admin on Fri Dec 15 18:14:58 GMT 2023 , Edited by admin on Fri Dec 15 18:14:58 GMT 2023
PRIMARY