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Details

Stereochemistry ACHIRAL
Molecular Formula C7H14O2
Molecular Weight 130.1849
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL VALERATE

SMILES

CCCCC(=O)OCC

InChI

InChIKey=ICMAFTSLXCXHRK-UHFFFAOYSA-N
InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3

HIDE SMILES / InChI
Molecular Formula C7H14O2
Molecular Weight 130.1849
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Ethyl valerate is a substance responsible for green apple flavor. It has various applications in the food and cosmetic industry.

Approval Year

1995
196
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Conformational analysis of green apple flavour: the gas-phase structure of ethyl valerate validated by microwave spectroscopy.
2012 Apr 10
Improvement of the enzymatic synthesis of ethyl valerate by esterification reaction in a solvent system.
2017 Jan 2

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:50:36 UTC 2023
Edited
by admin
on Fri Dec 15 16:50:36 UTC 2023
Record UNII
95R258T4P6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL VALERATE
FCC   FHFI  
Systematic Name English
ETHYL N-PENTANOATE
Common Name English
N-VALERIC ACID ETHYL ESTER
MI  
Common Name English
NSC-8868
Code English
ETHYL VALERATE [FHFI]
Common Name English
PENTANOIC ACID, ETHYL ESTER
Common Name English
VALERIC ACID, ETHYL ESTER
Common Name English
ETHYL VALERATE [FCC]
Common Name English
VALERIC ACID ETHYL ESTER
Systematic Name English
ETHYLVALERATE
Common Name English
AMYLMETACRESOL IMPURITY H [EP IMPURITY]
Common Name English
FEMA NO. 2462
Code English
N-VALERIC ACID ETHYL ESTER [MI]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 16:50:36 UTC 2023 , Edited by admin on Fri Dec 15 16:50:36 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID6040161
Created by admin on Fri Dec 15 16:50:36 UTC 2023 , Edited by admin on Fri Dec 15 16:50:36 UTC 2023
PRIMARY
EVMPD
SUB78694
Created by admin on Fri Dec 15 16:50:36 UTC 2023 , Edited by admin on Fri Dec 15 16:50:36 UTC 2023
PRIMARY
MERCK INDEX
m11360
Created by admin on Fri Dec 15 16:50:36 UTC 2023 , Edited by admin on Fri Dec 15 16:50:36 UTC 2023
PRIMARY Merck Index
DAILYMED
95R258T4P6
Created by admin on Fri Dec 15 16:50:36 UTC 2023 , Edited by admin on Fri Dec 15 16:50:36 UTC 2023
PRIMARY
WIKIPEDIA
Ethyl valerate
Created by admin on Fri Dec 15 16:50:36 UTC 2023 , Edited by admin on Fri Dec 15 16:50:36 UTC 2023
PRIMARY
RXCUI
1312574
Created by admin on Fri Dec 15 16:50:36 UTC 2023 , Edited by admin on Fri Dec 15 16:50:36 UTC 2023
PRIMARY RxNorm
SMS_ID
100000138750
Created by admin on Fri Dec 15 16:50:36 UTC 2023 , Edited by admin on Fri Dec 15 16:50:36 UTC 2023
PRIMARY
NSC
8868
Created by admin on Fri Dec 15 16:50:36 UTC 2023 , Edited by admin on Fri Dec 15 16:50:36 UTC 2023
PRIMARY
ECHA (EC/EINECS)
208-726-1
Created by admin on Fri Dec 15 16:50:36 UTC 2023 , Edited by admin on Fri Dec 15 16:50:36 UTC 2023
PRIMARY
CAS
539-82-2
Created by admin on Fri Dec 15 16:50:36 UTC 2023 , Edited by admin on Fri Dec 15 16:50:36 UTC 2023
PRIMARY
JECFA MONOGRAPH
315
Created by admin on Fri Dec 15 16:50:36 UTC 2023 , Edited by admin on Fri Dec 15 16:50:36 UTC 2023
PRIMARY
FDA UNII
95R258T4P6
Created by admin on Fri Dec 15 16:50:36 UTC 2023 , Edited by admin on Fri Dec 15 16:50:36 UTC 2023
PRIMARY
PUBCHEM
10882
Created by admin on Fri Dec 15 16:50:36 UTC 2023 , Edited by admin on Fri Dec 15 16:50:36 UTC 2023
PRIMARY
Related Record Type Details
Structure of AMYLMETACRESOL
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
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