2-Methyl-1-phenylpropan-2-ol
CAS No.:
100-86-7
M. Wt:
150.218
M. Fa:
C10H14O
InChI Key:
RIWRBSMFKVOJMN-UHFFFAOYSA-N
Appearance:
Colorless Liquid
Names and Identifiers of 2-Methyl-1-phenylpropan-2-ol
CAS Number |
100-86-7 |
|---|---|
EC Number |
202-896-0 |
MDL Number |
MFCD00004465 |
IUPAC Name |
2-methyl-1-phenylpropan-2-ol |
InChI |
InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3 |
InChIKey |
RIWRBSMFKVOJMN-UHFFFAOYSA-N |
Canonical SMILES |
CC(C)(CC1=CC=CC=C1)O |
UNII |
N95NCI59MI |
UNSPSC Code |
12352100 |
Physical and chemical properties of 2-Methyl-1-phenylpropan-2-ol
Acidity coefficient |
15.31±0.29(Predicted) |
|---|---|
Boiling Point |
215.0±8.0 °C at 760 mmHg |
BRN |
1855608 |
Density |
0.972-0.977 |
Exact Mass |
150.104462 |
Flash Point |
81.1±0.0 °C |
Index of Refraction |
1.514-1.517 (as supercooled liquid) |
LogP |
2.06 |
Melting Point |
24 °C |
Molecular Formula |
C10H14O |
Molecular Weight |
150.218 |
PSA |
20.23000 |
Solubility |
Soluble (in ethanol) |
Storage condition |
Sealed in dry,Room Temperature |
Vapour Pressure |
0.1±0.4 mmHg at 25°C |
Water Solubility |
Slightly soluble in water. |
Safety Information of 2-Methyl-1-phenylpropan-2-ol
Applications of 2-Methyl-1-phenylpropan-2-ol
2-Methyl-1-phenyl-2-propanol is widely used in various applications:
- Perfumery: It is an essential ingredient in creating floral fragrances, contributing notes reminiscent of lilac and other flowers.
- Flavoring Agent: The compound's pleasant odor allows it to be used in food flavorings, although its use must be regulated due to potential toxicity.
- Chemical Intermediate: It serves as a precursor in synthesizing esters and other organic compounds utilized in fragrances and flavors.
Biological Activity of 2-Methyl-1-phenylpropan-2-ol
While specific biological activities of 2-methyl-1-phenyl-2-propanol are not extensively documented, it is noted for its moderate toxicity when ingested and its potential to emit irritating fumes upon decomposition. Its floral scent makes it useful in perfumery, where it contributes to the fragrance profiles of floral essences such as lily and jasmine.
Physical sample testing spectrum (NMR) of 2-Methyl-1-phenylpropan-2-ol
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