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CAS No.: | 10099-57-7 |
---|---|
Name: | p-isopropylphenethyl alcohol |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C11H16 O |
Molecular Weight: | 164.247 |
Synonyms: | Phenethylalcohol, p-isopropyl- (6CI,8CI); 4-(1-Methylethyl)benzylmethanol;p-Isopropylphenethyl alcohol; p-Isopropylphenylethyl alcohol |
Density: | 0.967g/cm3 |
Boiling Point: | 226.6°Cat760mmHg |
Flash Point: | 105.7°C |
Safety: | Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and fumes. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S.. |
PSA: | 20.23000 |
LogP: | 2.34480 |
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Product Name: p-Isopropylphenylethyl alcohol (CAS NO.10099-57-7)
Molecular Formula: C11H16O
Molecular Weight: 164.24414g/mol
Mol File: 10099-57-7.mol
Einecs: 233-235-4
Boiling point: 226.6 °C at 760 mmHg
Flash Point: 105.7 °C
Density: 0.967 g/cm3
Surface Tension: 35.8 dyne/cm
Enthalpy of Vaporization: 48.95 kJ/mol
Vapour Pressure: 0.046 mmHg at 25°C
XLogP3-AA: 2.6
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of p-Isopropylphenylethyl alcohol (CAS NO.10099-57-7):
IUPAC Name: 2-(4-propan-2-ylphenyl)ethanol
Canonical SMILES: CC(C)C1=CC=C(C=C1)CCO
InChI: InChI=1S/C11H16O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,9,12H,7-8H2,1-2H3
InChIKey: MUGORNQRYUKUGN-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 3900uL/kg (3.9mL/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948. | |
mouse | LD50 | skin | > 6mL/kg (6mL/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948. | |
rat | LD50 | oral | 1800uL/kg (1.8mL/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and fumes. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S..
p-Isopropylphenylethyl alcohol ,its CAS NO. is 10099-57-7,the synonyms is 4-06-00-03405 (Beilstein Handbook Reference) ; AI3-01774 ; BRN 2080890 ; EINECS 233-235-4 ; Benzeneethanol, 4-(1-methylethyl)- ; Phenethyl alcohol, p-isopropyl- .