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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H40O3
Molecular Weight 424.6154
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLBUTYLPHENYL DECYLOXYBENZOATE, (2S)-

SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C[C@@H](C)CC)C=C2

InChI

InChIKey=AXTSICLPKIDIMY-QHCPKHFHSA-N
InChI=1S/C28H40O3/c1-4-6-7-8-9-10-11-12-21-30-26-19-15-25(16-20-26)28(29)31-27-17-13-24(14-18-27)22-23(3)5-2/h13-20,23H,4-12,21-22H2,1-3H3/t23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H40O3
Molecular Weight 424.6154
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 Sat Dec 16 01:36:35 GMT 2023
Edited
by admin
on Sat Dec 16 01:36:35 GMT 2023
Record UNII
U77C9F349O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYLBUTYLPHENYL DECYLOXYBENZOATE, (2S)-
Common Name English
METHYLBUTYLPHENYL DECYLOXYBENZOATE
INCI  
INCI  
Official Name English
BENZOIC ACID, 4-(DECYLOXY)-, 4-(2-METHYLBUTYL)PHENYL ESTER, (S)-
Common Name English
CE 6 (ESTER)
Brand Name English
METHYLBUTYLPHENYL DECYLOXYBENZOATE [INCI]
Common Name English
BENZOIC ACID, 4-(DECYLOXY)-, 4-((2S)-2-METHYLBUTYL)PHENYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
U77C9F349O
Created by admin on Sat Dec 16 01:36:35 GMT 2023 , Edited by admin on Sat Dec 16 01:36:35 GMT 2023
PRIMARY
CAS
69777-63-5
Created by admin on Sat Dec 16 01:36:35 GMT 2023 , Edited by admin on Sat Dec 16 01:36:35 GMT 2023
PRIMARY
PUBCHEM
21118873
Created by admin on Sat Dec 16 01:36:35 GMT 2023 , Edited by admin on Sat Dec 16 01:36:35 GMT 2023
PRIMARY
ECHA (EC/EINECS)
274-114-6
Created by admin on Sat Dec 16 01:36:35 GMT 2023 , Edited by admin on Sat Dec 16 01:36:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID40887670
Created by admin on Sat Dec 16 01:36:35 GMT 2023 , Edited by admin on Sat Dec 16 01:36:35 GMT 2023
PRIMARY