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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O2
Molecular Weight 192.2542
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMYL BENZOATE

SMILES

CCCCCOC(=O)C1=CC=CC=C1

InChI

InChIKey=QKNZNUNCDJZTCH-UHFFFAOYSA-N
InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H16O2
Molecular Weight 192.2542
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Opportunistic out-crossing in Nicotiana attenuata (Solanaceae), a predominantly self-fertilizing native tobacco.
2003-07-16
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:40:29 GMT 2025
Edited
by admin
on Mon Mar 31 20:40:29 GMT 2025
Record UNII
CLE7K4B29S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOIC ACID, PENTYL ESTER
Preferred Name English
AMYL BENZOATE
INCI  
INCI  
Official Name English
N-AMYL BENZOATE
Common Name English
PENTYL BENZOATE
Systematic Name English
N-PENTYL BENZOATE
Common Name English
Code System Code Type Description
FDA UNII
CLE7K4B29S
Created by admin on Mon Mar 31 20:40:29 GMT 2025 , Edited by admin on Mon Mar 31 20:40:29 GMT 2025
PRIMARY
ECHA (EC/EINECS)
218-077-6
Created by admin on Mon Mar 31 20:40:29 GMT 2025 , Edited by admin on Mon Mar 31 20:40:29 GMT 2025
PRIMARY
EPA CompTox
DTXSID2051849
Created by admin on Mon Mar 31 20:40:29 GMT 2025 , Edited by admin on Mon Mar 31 20:40:29 GMT 2025
PRIMARY
PUBCHEM
16296
Created by admin on Mon Mar 31 20:40:29 GMT 2025 , Edited by admin on Mon Mar 31 20:40:29 GMT 2025
PRIMARY
SMS_ID
100000166394
Created by admin on Mon Mar 31 20:40:29 GMT 2025 , Edited by admin on Mon Mar 31 20:40:29 GMT 2025
PRIMARY
EVMPD
SUB180482
Created by admin on Mon Mar 31 20:40:29 GMT 2025 , Edited by admin on Mon Mar 31 20:40:29 GMT 2025
PRIMARY
CAS
2049-96-9
Created by admin on Mon Mar 31 20:40:29 GMT 2025 , Edited by admin on Mon Mar 31 20:40:29 GMT 2025
PRIMARY