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128-37-0

Basic Information
CAS No.: 128-37-0
Name: Butylated hydroxytoluene
Molecular Structure:
Molecular Structure of 128-37-0 (Butylated hydroxytoluene)
Formula: C15H24O
Molecular Weight: 220.34
Synonyms: Butylated hydroxytoluene;2,6-Di-tart-buty-p-cresol;2,6-Bis(1,1-dimethylethyl)-4-methylphenol;2,6-Di(tert-butyl)hydroxytoluene;2,6-Di-tert-butyl-4-hydroxytoluene;2,6-Di-tert-butyl-4-methylhydroxybenzene;Swanox BHT;2,6-Di-tert-butyl-p-cresol;2,6-Di-tert-butyl-p-methylphenol;DBPC;Deenax;Di-tert-butyl-p-cresol;Dibunol;Dibutylatedhydroxytoluene;Dibutylcresol;Dibutylhydroxytoluene;E 321;Impruvol;Ionol 1;Ionol BHT;Ionole;Lubrizol 817;2,6-Di-tert-butylcresol;2,6-tert-Butyl-4-methylphenol;3,5-Di-tert-butyl-p-hydroxytoluene;Agidol;Alkofen BP;Antage BHT;Antioxidant 264;Antioxidant 30;Antioxidant 4K;AntioxidantKB;Antioxidant MPJ;
EINECS: 204-881-4
Density: 0.927 g/cm3
Melting Point: 69-73 °C(lit.)
Boiling Point: 263.6 °C at 760 mmHg
Flash Point: 118.4 °C
Solubility: methanol: 0.1 g/mL, clear, colorless
Appearance: white crystals or crystalline powder
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/37/38-36/38
Safety: 26-36-37/39
Transport Information:
PSA: 20.23000
LogP: 4.29560
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    Product Name: Butylated Hydroxytoluene CAS: 128-37-0 MF: C15H24O MW: 220.35 EINECS: 204-881-4 Mol File: 128-37-0.mol Butylated Hydroxytoluene Structure Butylated Hydroxytoluene Chemical Properties Melting point 69-73 °C(li

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Specification

Butylated hydroxytoluene, its cas register number is 128-37-0. It also can be called 2,6-Di-tert-butyl-4-methylphenol ; 2,6-Bis(1,1-dimethylethyl)-4-methylphenol ; 2,6-Di-tert-butyl-p-cresol ;  2,6-Di-tert-butyl-4-methylphenol ; 2,6-Di-tert-butyl-4-methylphenol ; DBPC .It is a white crystalline solid and insoluble in water.

Physical properties about Butylated hydroxytoluene are: (1)ACD/LogP: 5.319; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.32; (4)ACD/LogD (pH 7.4): 5.32; (5)ACD/BCF (pH 5.5): 6489.35; (6)ACD/BCF (pH 7.4): 6489.32; (7)ACD/KOC (pH 5.5): 18636.54; (8)ACD/KOC (pH 7.4): 18636.46; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.498; (13)Molar Refractivity: 69.734 cm3; (14)Molar Volume: 237.514 cm3; (15)Polarizability: 27.645 10-24cm3; (16)Surface Tension: 30.0310001373291 dyne/cm; (17)Density: 0.928 g/cm3; (18)Flash Point: 118.431 °C ; (19)Enthalpy of Vaporization: 52.167 kJ/mol; (20)Boiling Point: 263.604 °C at 760 mmHg; (21)Vapour Pressure: 0.00600000005215406 mmHg at 25°C

Preparation of Butylated hydroxytoluene: Butylated hydroxytoluene is prepared by the reaction of p-cresol (4-methylphenol) with isobutylene (2-methylpropene) catalysed by sulfuric acid:
CH3(C6H4)OH + 2 CH2=C(CH3)2 → ((CH3)3C)2CH3C6H2OH
It is prepared from 2,6-di-tert-butylphenol by hydroxymethylation or aminomethylation followed by hydrogenolysis.

Uses of Butylated hydroxytoluene is primarily used as an antioxidant food additive (E number E321) as well as an antioxidant additive in cosmetics, pharmaceuticals, jet fuels, rubber, petroleum products, electrical transformer oil, and embalming fluid.

You can still convert the following datas into molecular structure:
(1)InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3;
(2)InChIKey=NLZUEZXRPGMBCV-UHFFFAOYSA-N;
(3)Smilesc1(c(O)c(C(C)(C)C)cc(c1)C)C(C)(C)C;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 940mg/kg (940mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
AMA Archives of Industrial Health. Vol. 11, Pg. 93, 1955.
guinea pig LD50 oral 10700mg/kg (10700mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: TREMOR

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
AMA Archives of Industrial Health. Vol. 11, Pg. 93, 1955.
mouse LD50 intraperitoneal 138mg/kg (138mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BLOOD: HEMORRHAGE

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
Toxicology and Applied Pharmacology. Vol. 61, Pg. 475, 1981.
 
mouse LD50 intravenous 180mg/kg (180mg/kg) BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.
mouse LD50 oral 650mg/kg (650mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.
rabbit LDLo oral 2100mg/kg (2100mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
AMA Archives of Industrial Health. Vol. 11, Pg. 93, 1955.
rat LD50 oral 890mg/kg (890mg/kg)   Neoplasma. Vol. 24, Pg. 253, 1977.
 
women TDLo oral 80mg/kg (80mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: COMA

GASTROINTESTINAL: GASTRITIS
New England Journal of Medicine. Vol. 314, Pg. 648, 1986