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Details

Stereochemistry ACHIRAL
Molecular Formula 2C11H13O2.Al.HO
Molecular Weight 398.4283
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALUMINUM HYDROXYBIS(4-(TERT-BUTYL)BENZOATE)

SMILES

[OH-].[Al+3].CC(C)(C)C1=CC=C(C=C1)C([O-])=O.CC(C)(C)C2=CC=C(C=C2)C([O-])=O

InChI

InChIKey=OYFUVZBROQZLCL-UHFFFAOYSA-K
InChI=1S/2C11H14O2.Al.H2O/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;;/h2*4-7H,1-3H3,(H,12,13);;1H2/q;;+3;/p-3

HIDE SMILES / InChI

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Al
Molecular Weight 26.9815386
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H13O2
Molecular Weight 177.2197
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:22:32 GMT 2025
Edited
by admin
on Mon Mar 31 19:22:32 GMT 2025
Record UNII
ZW2Q2STW7D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SANDOSTAB 4030
Preferred Name English
ALUMINUM HYDROXYBIS(4-(TERT-BUTYL)BENZOATE)
Common Name English
AL-PTBBA
Common Name English
ALUMINUM, BIS(P-TERT-BUTYLBENZOATO)HYDROXY-
Common Name English
ALUMINUM HYDROXY-DI-P-TERT-BUTYLBENZOATE
Common Name English
BENZOIC ACID, 4-(1,1-DIMETHYLETHYL)-, ALUMINUM COMPLEX
Common Name English
YK (NUCLEATION AGENT)
Common Name English
ALUMINUM, BIS(4-(1,1-DIMETHYLETHYL)BENZOATO-O)HYDROXY-
Systematic Name English
BIS(4-(TERT-BUTYL)BENZOATO-O)HYDROXYALUMINIUM
Systematic Name English
ALUMINUM, BIS(4-(1,1-DIMETHYLETHYL)BENZOATO-.KAPPA.O)HYDROXY-
Systematic Name English
ALUMINUM, BIS(4-(1-1 DIMETHYLETHYL) BENZOATE-O)HYDROXIDE
Common Name English
HYDROXYALUMINUM BIS(P-TERT-BUTYLBENZOATE)
Common Name English
Classification Tree Code System Code
Food Contact Sustance Notif, (FCN No.) FCN NO. 988
Created by admin on Mon Mar 31 19:22:32 GMT 2025 , Edited by admin on Mon Mar 31 19:22:32 GMT 2025
Food Contact Sustance Notif, (FCN No.) FCN NO. 1171
Created by admin on Mon Mar 31 19:22:32 GMT 2025 , Edited by admin on Mon Mar 31 19:22:32 GMT 2025
Code System Code Type Description
PUBCHEM
69531698
Created by admin on Mon Mar 31 19:22:32 GMT 2025 , Edited by admin on Mon Mar 31 19:22:32 GMT 2025
PRIMARY
FDA UNII
ZW2Q2STW7D
Created by admin on Mon Mar 31 19:22:32 GMT 2025 , Edited by admin on Mon Mar 31 19:22:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID4065369
Created by admin on Mon Mar 31 19:22:32 GMT 2025 , Edited by admin on Mon Mar 31 19:22:32 GMT 2025
PRIMARY
CAS
13170-05-3
Created by admin on Mon Mar 31 19:22:32 GMT 2025 , Edited by admin on Mon Mar 31 19:22:32 GMT 2025
PRIMARY
ECHA (EC/EINECS)
236-109-7
Created by admin on Mon Mar 31 19:22:32 GMT 2025 , Edited by admin on Mon Mar 31 19:22:32 GMT 2025
PRIMARY