1-Phenyl-2-propanol

Basic Information

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CAS Number

698-87-3

Molecular Formula

C9H12O

Molecular Weight

136.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

135-136 ºC

Boiling Point

219-221 °C

Density

0.973 g/mL at 25 °C

Refractive Index

n20/D 1.522(lit.)

SMILES

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CC(CC1=CC=CC=C1)O

InChI

InChI=1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3

InChIKey

WYTRYIUQUDTGSX-UHFFFAOYSA-N

LogP

1.6098999999999999

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

84.7

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

698-87-3
Benzeneethanol, .alpha.-methyl-, ( )-
MFCD00004540
1-Phenyl-2-propanol
BRN 3195621
Benzenethanol, .alpha.-methyl-
FT-0605133
J-502839
AS-58392
UNII-300Y7TB8EY
MFCD00066456
FT-0605304
A866725
1-Phenylpropan-2-ol
Phenethyl alcohol, alpha-methyl-
2-Hydroxy-1-phenylpropane
alpha-Methylphenethyl alcohol
EN300-61929
Phenethyl alcohol, .alpha.-methyl-
AI3-05531
Benzeneethanol, .alpha.-methyl-
AMY25574
FT-0622825
Benzyl methyl carbinol
(+/-)-alpha-Methylphenethyl alcohol
Methylbenzeneethanol
Benzylmethylcarbinol
NSC 53553
NSC-53553
alpha-Methylbenzeneethanol
3-PHENYL-2-HYDROXYPROPANE

MDL Number

MFCD00004540

Customs Code

29062990

FAQ

What regulatory guidelines apply to 1-Phenyl-2-propanol (CAS: 698-87-3)?

1-Phenyl-2-propanol (CAS: 698-87-3) is classified under GHS as a flammable liquid. It is regulated under REACH in the EU, requiring suppliers to register substances above 1 tonne per year. FDA and EPA have specific requirements for the handling, storage, and disposal of this compound, especially concerning its potential environmental impact and health risks.

Are there alternatives to 1-Phenyl-2-propanol (CAS: 698-87-3) in synthesis?

Alternatives to 1-Phenyl-2-propanol include 2-Phenylpropan-1-ol and other phenyl-substituted alcohols. Isomers such as 2-Phenyl-1-propanol can be used as substitutes. Common alternatives in synthesis include using isopropyl alcohol with phenyl substituents or other alcohol derivatives depending on the specific reaction conditions and desired product.

What is the market or research trend for 1-Phenyl-2-propanol (CAS: 698-87-3)?

The market for 1-Phenyl-2-propanol is growing due to its usage in fragrance and flavor industries. Research trends focus on its application in pharmaceuticals and personal care products. Recent studies are exploring its potential in more sustainable and eco-friendly formulations, driven by increasing demand for green chemicals.

How should waste containing 1-Phenyl-2-propanol (CAS: 698-87-3) be handled?

Waste containing 1-Phenyl-2-propanol should be collected in suitable containers and disposed of via professional waste disposal services. Incineration is a common method, and environmental precautions include ensuring proper ventilation and containment to prevent air and water pollution. Follow local regulations and maintain hazardous waste management practices.