2,2-Dimethyl-3-(3-methylphenyl)-1-propanol

Basic Information

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CAS Number

103694-68-4

Molecular Formula

C12H18O

Molecular Weight

178.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Boiling Point

277 ºC

Refractive Index

n20/D 1.516-1.520

SMILES

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Cc1cccc(CC(C)(C)CO)c1

InChI

InChI=1S/C12H18O/c1-10-5-4-6-11(7-10)8-12(2,3)9-13/h4-7,13H,8-9H2,1-3H3

InChIKey

FYMOBFDUZIDKMI-UHFFFAOYSA-N

LogP

2.556020000000001

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

151

Safety Information

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GHS Hazard Pictograms

H412

Hazard Statement

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

3-(2,2-dimethyl-3-hydroxypropyl)toluene
Majantol
2,2-dimethyl-3-(3-methylphenyl)propan-1-ol
2,2-Dimethyl-3-(m-tolyl)propan-1-ol
β,β,3-Trimethylbenzenepropanol
7S411YY2VY
UNII-7S411YY2VY
2,2-Dimethyl-3-(3-methylphenyl)propanol
2,2-Dimethyl-3-(3-tolyl)propan-1-ol
benzenepropanol,
beta,beta,3-trimethyl-benzenepropano
Benzenepropanol, .beta.,.beta.,3-trimethyl-
3-(2,2-dimethyl-3-hydroxypropyl)toluene(alt.): 2,2-dimethyl-3-(3-methylphenyl)propanol
Benzenepropanol, beta,beta,3-trimethyl-
2,2-dimethyl-3-(3-methylphenyl)-propanol
2,2-dimethyl-3-(3-methylphenyl)-propan-1-ol
2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL
FYMOBFDUZID

MDL Number

MFCD03701092

FAQ

What regulatory guidelines apply to 2,2-Dimethyl-3-(3-methylphenyl)-1-propanol (CAS: 103694-68-4)?

The compound 2,2-Dimethyl-3-(3-methylphenyl)-1-propanol (CAS: 103694-68-4) should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous substances. Additionally, it is subject to the Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulation in the EU, which requires manufacturers and importers to register substances above a certain tonnage threshold. In the US, it is regulated by the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) under the Toxic Substances Control Act (TSCA).

Are there alternatives to 2,2-Dimethyl-3-(3-methylphenyl)-1-propanol (CAS: 103694-68-4) in synthesis?

In the synthesis of similar functionalities, alternatives to 2,2-Dimethyl-3-(3-methylphenyl)-1-propanol (CAS: 103694-68-4) include other alcohols with similar substituents or isomers, such as 2,2-Dimethyl-3-(2-methylphenyl)-1-propanol. Other reagents like phenylpropanols with different substituents can also serve as viable alternatives depending on the specific synthetic pathway.

What is the market or research trend for 2,2-Dimethyl-3-(3-methylphenyl)-1-propanol (CAS: 103694-68-4)?

The market for 2,2-Dimethyl-3-(3-methylphenyl)-1-propanol (CAS: 103694-68-4) is growing with increasing demand in pharmaceutical and agrochemical industries due to its use as a precursor in the synthesis of active pharmaceutical ingredients (APIs) and agrochemicals. Research trends are focusing on its application in drug discovery and development, as well as in the synthesis of novel compounds with enhanced properties.

How should waste containing 2,2-Dimethyl-3-(3-methylphenyl)-1-propanol (CAS: 103694-68-4) be handled?

Waste containing 2,2-Dimethyl-3-(3-methylphenyl)-1-propanol (CAS: 103694-68-4) should be collected in properly labeled and sealed containers, and managed according to local waste disposal regulations. For significant amounts, professional waste disposal services are recommended, and the waste should be incinerated or treated by other means to ensure compliance with environmental protection standards and minimize ecological impact.