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Details

Stereochemistry RACEMIC
Molecular Formula C7H16O
Molecular Weight 116.2013
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HEPTANOL

SMILES

CCCCC(O)CC

InChI

InChIKey=RZKSECIXORKHQS-UHFFFAOYSA-N
InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C7H16O
Molecular Weight 116.2013
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:40:03 GMT 2023
Edited
by admin
on Fri Dec 15 19:40:03 GMT 2023
Record UNII
12YBT48HMK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HEPTANOL
FHFI  
Systematic Name English
1-ETHYL-1-PENTANOL
Systematic Name English
3-HEPTANOL, (±)-
Systematic Name English
3-HYDROXYHEPTANE
Systematic Name English
DL-3-HEPTANOL
Common Name English
NSC-2586
Code English
FEMA NO. 3547
Code English
3-HEPTANOL [FHFI]
Common Name English
BUTYL ETHYL CARBINOL
Systematic Name English
(±)-3-HEPTANOL
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-HEPTANOL
Created by admin on Fri Dec 15 19:40:03 GMT 2023 , Edited by admin on Fri Dec 15 19:40:03 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 19:40:03 GMT 2023 , Edited by admin on Fri Dec 15 19:40:03 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
209-661-1
Created by admin on Fri Dec 15 19:40:03 GMT 2023 , Edited by admin on Fri Dec 15 19:40:03 GMT 2023
PRIMARY
PUBCHEM
11520
Created by admin on Fri Dec 15 19:40:03 GMT 2023 , Edited by admin on Fri Dec 15 19:40:03 GMT 2023
PRIMARY
CAS
589-82-2
Created by admin on Fri Dec 15 19:40:03 GMT 2023 , Edited by admin on Fri Dec 15 19:40:03 GMT 2023
PRIMARY
WIKIPEDIA
3-HEPTANOL
Created by admin on Fri Dec 15 19:40:03 GMT 2023 , Edited by admin on Fri Dec 15 19:40:03 GMT 2023
PRIMARY
NSC
2586
Created by admin on Fri Dec 15 19:40:03 GMT 2023 , Edited by admin on Fri Dec 15 19:40:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID50862251
Created by admin on Fri Dec 15 19:40:03 GMT 2023 , Edited by admin on Fri Dec 15 19:40:03 GMT 2023
PRIMARY
JECFA MONOGRAPH
392
Created by admin on Fri Dec 15 19:40:03 GMT 2023 , Edited by admin on Fri Dec 15 19:40:03 GMT 2023
PRIMARY
FDA UNII
12YBT48HMK
Created by admin on Fri Dec 15 19:40:03 GMT 2023 , Edited by admin on Fri Dec 15 19:40:03 GMT 2023
PRIMARY