Thymol

Thymol
Compound Structure:
Synonyms: THYMOL ;89-83-8; 2-Isopropyl-5-methylphenol; Thyme camphor 5-Methyl-2-isopropylphenol
Compound ID: NMPC-1535
PubChem ID:

6989
Molecular Formula: C10H14O
Canonical SMILES: CC1=CC(=C(C=C1)C(C)C)O
InChIKey: MGSRCZKZVOBKFT-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H302: Harmful if swallowed [Warning Acute toxicity, oral]

• H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

• H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

150.22 g/mol

XLogP3

3.3

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

150.104465066 g/mol

Monoisotopic Mass

150.104465066 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

120

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Colorless or white solid with an herbal odor like thyme; [HSDB] White crystalline solid with an odor like phenol; [MSDSonline]

Boiling Point

232.5°C

Melting Point

51.5°C

Density

0.9699 g/cu cm at 25 °C

Solubility 

1 g dissolves in about 1000 mL water, 1 mL alcohol, 0.7 mL chloroform, 1.5 mL ether, 1.7 mL olive oil at 25 °C; soluble in glacial acetic acids, oils, fixed alkali hydroxide

Vapor Pressure

0.0022 [mmHg]

Source:PubChem
Source Species: Nicotiana tabacum
Senna occidentalis
Eremomastax speciosa
Eucalyptus cloeziana
Eucalyptus tereticornis
Murraya Koenigii
Pteris togoensis
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