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Thanol

Thanol structure

Thanol 

structure
  • CAS No:

    490-06-2

  • Formula:

    C10H14O2

  • Chemical Name:

    Thanol

  • Synonyms:

    1,2-Benzenediol,3-methyl-6-(1-methylethyl)-;p-Cymene-2,3-diol;3-Methyl-6-(1-methylethyl)-1,2-benzenediol;Cymopyrocatechol;3-Isopropyl-6-methylpyrocatechol;2,3-Dihydroxy-p-cymene;Thanol;NSC 40567;2,3-Dihydroxy-4-isopropyl-1-methylbenzene;3-Isopropyl-6-methyl-1,2-benzenediol;2,3-Dihydroxy-1-isopropyl-4-methylbenzene;3-Methyl-6-(propan-2-yl)benzene-1,2-diol

Thanol Basic Attributes

166.22

166.22

93XFQ715UL

40567

DTXSID10197652

Characteristics

40.5

2.7

1.0060 (rough estimate)

211-212 °C

270ºC at 760mmHg

131.4ºC

1.555

0.00423mmHg at 25°C

Safety Information

P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P362, P363, P403+P233, P405, P501

H302

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

P-Cymene-2,3-diol is a known human metabolite of Thymol.

Computed Properties

Molecular Weight:166.22
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:166.099379685
Monoisotopic Mass:166.099379685
Topological Polar Surface Area:40.5
Heavy Atom Count:12
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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