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Details

Stereochemistry RACEMIC
Molecular Formula C12H18O
Molecular Weight 178.2707
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYL PHENYLBUTANOL

SMILES

CC(O)CC(C)(C)C1=CC=CC=C1

InChI

InChIKey=NCYQVRNLBAYSLE-UHFFFAOYSA-N
InChI=1S/C12H18O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H18O
Molecular Weight 178.2707
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:59:57 GMT 2023
Edited
by admin
on Sat Dec 16 01:59:57 GMT 2023
Record UNII
M44D8GBX7A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMETHYL PHENYLBUTANOL
INCI  
INCI  
Official Name English
DIMETHYL PHENYLBUTANOL [INCI]
Common Name English
4-METHYL-4-PHENYL-2-PENTANOL
Systematic Name English
BENZENEPROPANOL, .ALPHA.,.GAMMA.,.GAMMA.-TRIMETHYL-
Systematic Name English
NSC-245167
Code English
4-PHENYL-4,4-DIMETHYL-2-BUTANOL
Systematic Name English
(±)-4-METHYL-4-PHENYL-2-PENTANOL
Systematic Name English
SYMDEO MPP 161744
Brand Name English
4-METHYL-4-PHENYL-2-PENTANOL, (±)-
Systematic Name English
2-PENTANOL, 4-METHYL-4-PHENYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20883711
Created by admin on Sat Dec 16 01:59:57 GMT 2023 , Edited by admin on Sat Dec 16 01:59:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
218-002-7
Created by admin on Sat Dec 16 01:59:57 GMT 2023 , Edited by admin on Sat Dec 16 01:59:57 GMT 2023
PRIMARY
PUBCHEM
99870
Created by admin on Sat Dec 16 01:59:57 GMT 2023 , Edited by admin on Sat Dec 16 01:59:57 GMT 2023
PRIMARY
CAS
2035-93-0
Created by admin on Sat Dec 16 01:59:57 GMT 2023 , Edited by admin on Sat Dec 16 01:59:57 GMT 2023
PRIMARY
FDA UNII
M44D8GBX7A
Created by admin on Sat Dec 16 01:59:57 GMT 2023 , Edited by admin on Sat Dec 16 01:59:57 GMT 2023
PRIMARY
NSC
245167
Created by admin on Sat Dec 16 01:59:57 GMT 2023 , Edited by admin on Sat Dec 16 01:59:57 GMT 2023
PRIMARY