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Details

Stereochemistry ACHIRAL
Molecular Formula C16H24O2
Molecular Weight 248.3606
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCTYL PHENYLACETATE

SMILES

CCCCCCCCOC(=O)CC1=CC=CC=C1

InChI

InChIKey=VGYPAVUJUMQTGE-UHFFFAOYSA-N
InChI=1S/C16H24O2/c1-2-3-4-5-6-10-13-18-16(17)14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3

HIDE SMILES / InChI

Molecular Formula C16H24O2
Molecular Weight 248.3606
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:45:58 GMT 2023
Edited
by admin
on Fri Dec 15 18:45:58 GMT 2023
Record UNII
TDN0NV3W9J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCTYL PHENYLACETATE
Systematic Name English
OCTYL PHENYL ACETATE
Common Name English
FEMA NO. 2812
Code English
N-OCTYL PHENYLACETATE [FHFI]
Common Name English
ACETIC ACID, PHENYL-, OCTYL ESTER
Common Name English
OCTYL ALPHA-TOLUATE
Systematic Name English
BENZENEACETIC ACID, OCTYL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION OCTYL PHENYLACETATE
Created by admin on Fri Dec 15 18:45:58 GMT 2023 , Edited by admin on Fri Dec 15 18:45:58 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:45:58 GMT 2023 , Edited by admin on Fri Dec 15 18:45:58 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
204-545-7
Created by admin on Fri Dec 15 18:45:58 GMT 2023 , Edited by admin on Fri Dec 15 18:45:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID4059542
Created by admin on Fri Dec 15 18:45:58 GMT 2023 , Edited by admin on Fri Dec 15 18:45:58 GMT 2023
PRIMARY
JECFA MONOGRAPH
950
Created by admin on Fri Dec 15 18:45:58 GMT 2023 , Edited by admin on Fri Dec 15 18:45:58 GMT 2023
PRIMARY
CAS
122-45-2
Created by admin on Fri Dec 15 18:45:58 GMT 2023 , Edited by admin on Fri Dec 15 18:45:58 GMT 2023
PRIMARY
PUBCHEM
61050
Created by admin on Fri Dec 15 18:45:58 GMT 2023 , Edited by admin on Fri Dec 15 18:45:58 GMT 2023
PRIMARY
FDA UNII
TDN0NV3W9J
Created by admin on Fri Dec 15 18:45:58 GMT 2023 , Edited by admin on Fri Dec 15 18:45:58 GMT 2023
PRIMARY