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Details

Stereochemistry ACHIRAL
Molecular Formula C10H16
Molecular Weight 136.2344
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-OCIMENE, (3E)-

SMILES

C=C/C(=C(\[H])/CC=C(C)C)/C

InChI

InChIKey=IHPKGUQCSIINRJ-CSKARUKUSA-N
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+

HIDE SMILES / InChI

Molecular Formula C10H16
Molecular Weight 136.2344
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 11:11:39 UTC 2021
Edited
by admin
on Sat Jun 26 11:11:39 UTC 2021
Record UNII
38BQ4UYY06
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-OCIMENE, (3E)-
Common Name English
TRANS-.BETA.-OCIMENE
Common Name English
3,7-DIMETHYLOCTA-1,3,6-TRIENE, (3E)-
Systematic Name English
FEMA NO. 3539
Code English
3,7-DIMETHYLOCTA-1,3,6-TRIENE, (E)-
Systematic Name English
DIMETHYL-1,3,6-OCTATRIENE [FHFI]
Common Name English
OCIMENE TRANS-.BETA.-FORM [MI]
Common Name English
(E)-3,7-DIMETHYLOCTA-1,3,6-TRIENE
Systematic Name English
TRANS-3,7-DIMETHYL-1,3,6-OCTATRIENE
Common Name English
OCIMENE, TRANS-.BETA.-
Common Name English
OCIMENE TRANS-.BETA.-FORM
MI  
Common Name English
E-3,7-DIMETHYL-1,3,6-OCTATRIENE
Systematic Name English
Code System Code Type Description
CAS
3779-61-1
Created by admin on Sat Jun 26 11:11:39 UTC 2021 , Edited by admin on Sat Jun 26 11:11:39 UTC 2021
PRIMARY
EPA CompTox
3779-61-1
Created by admin on Sat Jun 26 11:11:39 UTC 2021 , Edited by admin on Sat Jun 26 11:11:39 UTC 2021
PRIMARY
MERCK INDEX
M8100
Created by admin on Sat Jun 26 11:11:39 UTC 2021 , Edited by admin on Sat Jun 26 11:11:39 UTC 2021
PRIMARY Merck Index
ECHA (EC/EINECS)
223-241-5
Created by admin on Sat Jun 26 11:11:39 UTC 2021 , Edited by admin on Sat Jun 26 11:11:39 UTC 2021
PRIMARY
FDA UNII
38BQ4UYY06
Created by admin on Sat Jun 26 11:11:39 UTC 2021 , Edited by admin on Sat Jun 26 11:11:39 UTC 2021
PRIMARY
PUBCHEM
5281553
Created by admin on Sat Jun 26 11:11:39 UTC 2021 , Edited by admin on Sat Jun 26 11:11:39 UTC 2021
PRIMARY
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