Majantol
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Majantol
structure -
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CAS No:
103694-68-4
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Formula:
C12H18O
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Chemical Name:
Majantol
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Synonyms:
Benzenepropanol,β,β,3-trimethyl-;β,β,3-Trimethylbenzenepropanol;2,2-Dimethyl-3-(3-methylphenyl)propanol;Majantol;2,2-Dimethyl-3-(3-tolyl)propan-1-ol;2,2-Dimethyl-3-m-tolylpropan-1-ol;2,2-Dimethyl-3-(3-methylphenyl)propan-1-ol
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CAS No:
Safety Information
NONH for all modes of transport
R52/53
S61
P273
H412
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|Aggregated GHS information provided by 1406 companies from 1 notifications to the ECHA C&L Inventory.|Aggregated GHS information provided by 106 companies from 3 notifications to the ECHA C&L Inventory.
Majantol Use and Manufacturing
5% Rh/C (450mg, 15% w/w) was charged into a 5OmL autoclave vessel containing a mixture of 2, 2-dimethyl-3-(3-methylplienyl)propan-l-ol (6g, 34mmol) in water (17mL). The mixture was vigorously stirred under an hydrogen atmosphere (lOBar) at 600C for 6h. The reaction mixture was filtered and the filtrate was extracted with MTBE (25mL), dried over magnesium sulphate and concentrated. The resulting crude product was distilled with a bulb-to-bulb distillation (2.5mBar, 900C) to give 2, 2-dimethyl-3-(3- methylcyclohexyl)propan-l-ol (5.1g, gc purity > 99%; yield 82%).Odour: aldehydic, fatty /greasy, floral.Analytical data:1H NMR (400 MHz, CHLOROFORM-d) ppm: 0.51-0.88 (m, 2H), 0.79-0.87 (m, 9H), 0.95-1.76 (m, 10H), 1.87 (br. s., IH), 3.25 (s, 2H).13C NMR (101 MHz, CHLOROFORM-^ ppm: 22.90 (q, 1C), 24.30 (q, 1C), 24.31 (t, 1C), 26.53 (d, 1C), 32.90 (d, 1C), 33.58 (t, 1C), 34.83 (t, 1C), 35.48 (t, 1C), 35.68 (s, 1C), 44.95 (t, 1C), 46.26 (t, 1C), 72.32 (t, 1C). EPO EXAMPLE 5 Manufacture of EXAMPLE 6 Manufacture of 1-methoxy-2, 2-dimethyl-3-(3-methylphenyl)-propane In a 250 ml three-necked flask flushed with argon, 4.5 g of
Air care products
< 25,000 lb
Benzenepropanol, .beta.,.beta.,3-trimethyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:178.27
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:178.135765193
Monoisotopic Mass:178.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:13
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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