2-Methyl-1-phenyl-2-propanol
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2-Methyl-1-phenyl-2-propanol
structure -
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CAS No:
100-86-7
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Formula:
C10H14O
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Chemical Name:
2-Methyl-1-phenyl-2-propanol
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Synonyms:
Benzeneethanol,α,α-dimethyl-;Phenethyl alcohol,α,α-dimethyl-;α,α-Dimethylbenzeneethanol;Dimethylbenzylcarbinol;α,α-Dimethylphenethyl alcohol;1,1-Dimethyl-2-phenylethanol;DMBC;Benzyldimethylcarbinol;1,1-Dimethylphenylethanol;α,α-Dimethylphenethanol;2-Hydroxy-2-methyl-1-phenylpropane;2-Methyl-1-phenyl-2-propanol;1-Phenyl-2-methylpropan-2-ol;β-Phenyl-tert-butyl alcohol;2-Benzyl-2-propanol;1-Benzyl-1-methylethanol;2-Methyl-3-phenyl-2-propanol;Phenyl-tert-butanol;1,1-Dimethyl-2-phenylethyl alcohol;NSC 27228;NSC 46103;NSC 5236;1-Phenyl-2-hydroxy-2-methylpropane;2-Hydroxy-2-methyl-1-phenyl-1-propane
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CAS No:
Description
Clear colorless liquid or low melting solid 2-Methyl-1-phenyl-2-propanol has not yet been found in nature. The alcohol has a floral, herbaceous odor, reminiscent of lilac, and is prepared by a Grignard reaction of benzylmagnesium chloride and acetone. It is used in perfumery for various flower notes (e.g., lilac, hyacinth, mimosa). The alcohol is stable to alkali and is thus suited for soap perfumes. It is used to prepare a number of esters, which are also used as fragrance substances. α,α
Liquid|Solid|Colourless to pale yellow viscous liquid or white crystalline solid; Warm, herbaceous, floral aroma
2-Methyl-1-phenyl-2-propanol Basic Attributes
150.22
150.22
1855608
202-896-0
N95NCI59MI
46103|27228|5236
DTXSID1047601
29062900
Characteristics
20.2
2.2
Liquid
0.903 g/cm3 @ Temp: 20 °C
24 °C
215 °C
178 °F
n 20/D 1.514(lit.)
Slightly soluble in water.
Store below +30°C.
0.0888mmHg at 25°C
The acute oral LD 50 in rats was reported as 1.35 g/kg (1.02-1.68 g/kg) (Moreno, 1973). The acute dermal LD 50 in rabbits was reported as > 5 g/kg (Moreno, 1973).
Safety Information
NONH for all modes of transport
2
22
23-24/25
SG8050000
Xn
Stable under normal temperatures and pressures.
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1852 companies from 7 notifications to the ECHA C&L Inventory.|H302: Harmful if swallowed [Warning Acute toxicity, oral]
2-Methyl-1-phenyl-2-propanol Use and Manufacturing
It is obtained by the addition reaction of acetone and benzyl magnesium chloride or benzyl magnesium bromide, followed by hydrolysis and vacuum distillation.
2-Methyl-1-phenyl-2-propanol is used to prepare floral fragrances, such as lily; narcissus; frangipani; lily of the valley and other advanced floral fragrances. Its acetate has a fresh fragrance, which doubles its value, and is commonly used in hyacinths; lilies; jasmine and other floral flavors.
Intermediates
25,000 - 100,000 lb
Pharmaceutical and medicine manufacturing|Benzeneethanol, .alpha.,.alpha.-dimethyl-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:150.22
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:150.104465066
Monoisotopic Mass:150.104465066
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:112
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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