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79-96-9

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Basic Information
CAS No.: 79-96-9
Name: 4,4'-ISOPROPYLIDENEBIS(2-T-BUTYLPHENOL)
Article Data: 13
Molecular Structure:
Molecular Structure of 79-96-9 (4,4'-ISOPROPYLIDENEBIS(2-T-BUTYLPHENOL))
Formula: C23H32 O2
Molecular Weight: 340.506
Synonyms: Phenol,4,4'-isopropylidenebis[2-tert-butyl- (6CI,7CI,8CI);2,2-Bis(4-hydroxy-3-tert-butylphenyl)propane;2,2'-Di-tert-butyl-4,4'-isopropylidenebis[phenol]; 3,3'-Di-tert-butyldian;4,4'-(1-Methylethylidene)bis[2-(1,1-dimethylethyl)phenol];4,4'-Isopropylidenebis(o-tert-butylphenol);4,4'-Isopropylidenebis[2-tert-butylphenol]; TBD
Density: 0.9832 (rough estimate)
Boiling Point: 436.28°C (rough estimate)
Flash Point: 181oC
Safety: Poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and fumes.
PSA: 40.46000
LogP: 6.01870
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Chemistry

Molecular Structure of Phenol, 4,4'-isopropylidenebis(2-tert-butyl- (79-96-9):

EINECS: 201-239-5
IUPAC Name: 2-tert-Butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)propan-2-yl]phenol 
Molecular Formula: C23H32O2
Molecular Weight: 340.498980 g/mol
XLogP3-AA: 7.4
H-Bond Donor: 2
H-Bond Acceptor: 2
Canonical SMILES: CC(C)(C)C1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C(C)(C)C)O
InChI: InChI=1S/C23H32O2/c1-21(2,3)17-13-15(9-11-19(17)24)23(7,8)16-10-12-20(25)18(14-16)22(4,5)6/h9-14,24-25H,1-8H3
InChIKey: ZDRSNHRWLQQICP-UHFFFAOYSA-N
Index of Refraction: 1.542
Molar Refractivity: 104.94 cm3
Molar Volume: 332.9 cm3
Surface Tension: 36 dyne/cm
Density: 1.022 g/cm3
Flash Point: 181 °C
Enthalpy of Vaporization: 70.96 kJ/mol
Boiling Point: 428.1 °C at 760 mmHg
Vapour Pressure: 6.23E-08 mmHg at 25 °C
Water Solubility: 0.01139 mg/L at 25 °C
BRN of Phenol, 4,4'-isopropylidenebis(2-tert-butyl- (79-96-9): 2294370

Toxicity Data With Reference

1.    

ipr-mus LD50:40 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD691-490 .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and fumes.

Specification

  Phenol, 4,4'-isopropylidenebis(2-tert-butyl- (79-96-9) is also known as 4,4'-Isopropylidene-bis(2-t-butylphenol) ; Phenol, 4,4'-(1-methylethylidene)bis(2-(1,1-dimethylethyl)- ; TBD ; 4,4'-Isopropylidenebis(o-tert-butylphenol) ; Phenol, (2,2'-di-tert-butyl-4,4'-isopropylene)di- ; Phenol, 4,4'-(1-methylethylidene)bis(2-(1,1-dimethylethyl)- .