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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H16O2
Molecular Weight 192.2542
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-PHENYL-3-ACETOXYBUTANE, (+)-

SMILES

C[C@H](CCC1=CC=CC=C1)OC(C)=O

InChI

InChIKey=IVEWTAOGAGBQGG-SNVBAGLBSA-N
InChI=1S/C12H16O2/c1-10(14-11(2)13)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3/t10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H16O2
Molecular Weight 192.2542
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:15:25 GMT 2025
Edited
by admin
on Mon Mar 31 20:15:25 GMT 2025
Record UNII
N98J91O56W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-PHENYL-3-ACETOXYBUTANE, (+)-
Systematic Name English
(R)-4-PHENYL-2-BUTANOL ACETATE ESTER
Preferred Name English
4-PHENYL-2-BUTYL ACETATE, (+)-
Systematic Name English
(R)-4-PHENYL-2-ACETOXYBUTANE
Systematic Name English
BENZENEPROPANOL, .ALPHA.-METHYL-, ACETATE, (R)-
Systematic Name English
(R)-4-PHENYL-2-BUTANOL, ACETATE
Systematic Name English
BENZENEPROPANOL, .ALPHA.-METHYL-, 1-ACETATE, (.ALPHA.R)-
Common Name English
BENZENEPROPANOL, .ALPHA.-METHYL-, ACETATE, (.ALPHA.R)-
Common Name English
Code System Code Type Description
PUBCHEM
6950760
Created by admin on Mon Mar 31 20:15:25 GMT 2025 , Edited by admin on Mon Mar 31 20:15:25 GMT 2025
PRIMARY
CAS
129098-41-5
Created by admin on Mon Mar 31 20:15:25 GMT 2025 , Edited by admin on Mon Mar 31 20:15:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID10156062
Created by admin on Mon Mar 31 20:15:25 GMT 2025 , Edited by admin on Mon Mar 31 20:15:25 GMT 2025
PRIMARY
FDA UNII
N98J91O56W
Created by admin on Mon Mar 31 20:15:25 GMT 2025 , Edited by admin on Mon Mar 31 20:15:25 GMT 2025
PRIMARY