4-tert-BUTYLTOLUENE
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Product Description
Product
4-tert-BUTYLTOLUENE
CAS
98-51-1
Formula
C11H16
Synonym
4-TERT-BUTYLTOLUENE; 8-Methylparacymene; AI3-26435; Benzene, 1-(1,1-dimethylethyl)-4-methyl-; Benzene, 1-methyl-4-(1,1-dimethylethyl)- (9CI); Benzene, 1-methyl-4-tert-butyl-; BRN 2038670; CCRIS 4762; EC 202-675-9; EINECS 202-675-9; HSDB 5008; NSC 6589; p-Methyl-t-butylbenzene 8-Methylparacymene; p-Methyl-tert-butylbenzene; PTBT; p-TBT; p-t-Butyl toluene; p-t-Butyltoluene; p-tert-Butyltoluene; Superlist Names Benzene, 1-(1,1-dimethylethyl)-4-methyl-; TBT; TERT-BUTYL TOLUENE; Toluene, p-t-butyl-; Toluene, p-tert-butyl-; UNII-589519D43L; 1-(1,1-Dimethylethyl)-4-methylbenzene; 1-(1,1-Dimethylethyl)-4-methyl-benzene; 1-Methyl-4-t-butylbenzene; 1-Methyl-4-tert-butylbenzene; 1-t-Butyl-4-methylbenzene; 1-TERT-BUTYL-4-METHYL BENZENE; 1-tert-Butyl-4-methylbenzene; 4-05-00-01097 (Beilstein Handbook Reference); 4-Methyl-tert-butylbenzene; 4-t-Butyl toluene; 4-t-Butyltoluene; 4-tert-Butyl-1-Methylbenzene
Typical Product Specifications
Molecular weight
148.24
EINECS
202-675-9
SMILES
C(c1ccc(C)cc1)(C)(C)C
InChI
1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3
InChIKey
QCWXDVFBZVHKLV-UHFFFAOYSA-N
Henry's Law Constant
0.015 atm-m3/mole
log P (octanol-water)
5.17
Atmospheric OH Rate Constant
1.40E-11 cm3/molecule-sec
Melting Point
-5.20E+01 ° C
Vapor Pressure
0.671 mm Hg
Boiling Point
190 ° C
Water solubility
5.500 mg/L
Water solubility
0.06 g/100 mL (20 ºC)
Melting Point
-54 °C
Refractive Index
1.492
Storage Temperature
Flammables area
Solubility
0.06 g/100 mL (20°C)
Density
0.858 g/mL at 25 °C
Boiling Point
191 °C
BRN Number
2038670
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
Flash Point
150 °F
Notes
4-tert-BUTYLTOLUENE uses and applications include: Intermediate for organic synthesis (especially t-butylbenzoic acid), perfumes, fragrances; fixing agent for fragrances; cosmetics ingredient; solvent for resins; antioxidant
Suggested storage of 4-tert-BUTYLTOLUENE: Store in closed containers in well-ventilated area, away from heat, sparks, flame
Class
Industry
Functions
4-tert-BUTYLTOLUENE
Product Description
Product
4-tert-BUTYLTOLUENE
CAS
98-51-1
Formula
C11H16
Synonym
4-TERT-BUTYLTOLUENE; 8-Methylparacymene; AI3-26435; Benzene, 1-(1,1-dimethylethyl)-4-methyl-; Benzene, 1-methyl-4-(1,1-dimethylethyl)- (9CI); Benzene, 1-methyl-4-tert-butyl-; BRN 2038670; CCRIS 4762; EC 202-675-9; EINECS 202-675-9; HSDB 5008; NSC 6589; p-Methyl-t-butylbenzene 8-Methylparacymene; p-Methyl-tert-butylbenzene; PTBT; p-TBT; p-t-Butyl toluene; p-t-Butyltoluene; p-tert-Butyltoluene; Superlist Names Benzene, 1-(1,1-dimethylethyl)-4-methyl-; TBT; TERT-BUTYL TOLUENE; Toluene, p-t-butyl-; Toluene, p-tert-butyl-; UNII-589519D43L; 1-(1,1-Dimethylethyl)-4-methylbenzene; 1-(1,1-Dimethylethyl)-4-methyl-benzene; 1-Methyl-4-t-butylbenzene; 1-Methyl-4-tert-butylbenzene; 1-t-Butyl-4-methylbenzene; 1-TERT-BUTYL-4-METHYL BENZENE; 1-tert-Butyl-4-methylbenzene; 4-05-00-01097 (Beilstein Handbook Reference); 4-Methyl-tert-butylbenzene; 4-t-Butyl toluene; 4-t-Butyltoluene; 4-tert-Butyl-1-Methylbenzene
Typical Product Specifications
Molecular weight
148.24
EINECS
202-675-9
SMILES
C(c1ccc(C)cc1)(C)(C)C
InChI
1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3
InChIKey
QCWXDVFBZVHKLV-UHFFFAOYSA-N
Henry's Law Constant
0.015 atm-m3/mole
log P (octanol-water)
5.17
Atmospheric OH Rate Constant
1.40E-11 cm3/molecule-sec
Melting Point
-5.20E+01 ° C
Vapor Pressure
0.671 mm Hg
Boiling Point
190 ° C
Water solubility
5.500 mg/L
Water solubility
0.06 g/100 mL (20 ºC)
Melting Point
-54 °C
Refractive Index
1.492
Storage Temperature
Flammables area
Solubility
0.06 g/100 mL (20°C)
Density
0.858 g/mL at 25 °C
Boiling Point
191 °C
BRN Number
2038670
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
Flash Point
150 °F
Notes
4-tert-BUTYLTOLUENE uses and applications include: Intermediate for organic synthesis (especially t-butylbenzoic acid), perfumes, fragrances; fixing agent for fragrances; cosmetics ingredient; solvent for resins; antioxidant
Suggested storage of 4-tert-BUTYLTOLUENE: Store in closed containers in well-ventilated area, away from heat, sparks, flame
Class
Industry
Functions
