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Details

Stereochemistry ACHIRAL
Molecular Formula C6H12O
Molecular Weight 100.1589
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXANAL

SMILES

CCCCCC=O

InChI

InChIKey=JARKCYVAAOWBJS-UHFFFAOYSA-N
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula C6H12O
Molecular Weight 100.1589
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:59:58 UTC 2023
Edited
by admin
on Fri Dec 15 16:59:58 UTC 2023
Record UNII
9DC2K31JJQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXANAL
FCC   FHFI   INCI  
INCI  
Official Name English
HEXANAL [INCI]
Common Name English
CAPROALDEHYDE
Systematic Name English
FEMA NO. 2557
Code English
N-HEXYLALDEHYDE
Common Name English
N-CAPRONALDEHYDE
Common Name English
CAPROIC ALDEHYDE [MI]
Common Name English
NSC-2596
Code English
HEXANAL [FCC]
Common Name English
HEXANAL [FHFI]
Common Name English
HEXALDEHYDE [HSDB]
Common Name English
CAPROIC ALDEHYDE
MI  
Common Name English
1-HEXANAL
Systematic Name English
HEXALDEHYDE
HSDB  
Common Name English
N-HEXANAL
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
EPA PESTICIDE CODE 128950
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
JECFA EVALUATION HEXANAL
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
Code System Code Type Description
FDA UNII
9DC2K31JJQ
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
PRIMARY
ECHA (EC/EINECS)
200-624-5
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
PRIMARY
PUBCHEM
6184
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
PRIMARY
MESH
C010463
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
PRIMARY
SMS_ID
100000138503
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
PRIMARY
CAS
66-25-1
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
PRIMARY
EVMPD
SUB78007
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
PRIMARY
JECFA MONOGRAPH
273
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID2021604
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
PRIMARY
MERCK INDEX
m3032
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
PRIMARY Merck Index
CHEBI
88528
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
PRIMARY
CAS
861259-78-1
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
ALTERNATIVE
CAS
107787-20-2
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
ALTERNATIVE
NSC
2596
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
PRIMARY
WIKIPEDIA
HEXANAL
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
PRIMARY
CAS
861259-79-2
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
ALTERNATIVE
HSDB
560
Created by admin on Fri Dec 15 16:59:58 UTC 2023 , Edited by admin on Fri Dec 15 16:59:58 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT