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2,5-dimethylcyclohexan-1-ol | 3809-32-3

Product name:2,5-dimethylcyclohexan-1-ol

CAS No:3809-32-3
MF:C8H16O
MW:128.2120
MDL:MFCD00001504
CID:317819
PubChem ID:97959
Names and Identifiers
  • 2,5-Dimethylcyclohexanol
  • 2,5-Dimethylcyclohexanol (mixture of isomers)
  • 2,5-dimethylcyclohexan-1-ol
  • Cyclohexanol,2,5-dimethyl-
  • 1-Hydroxy-2,5-diMethylcyclohexane
  • Cyclohexanol,2,5-dimethyl
  • Hexahydro-p-xylenol
  • Cyclohexanol, 2,5-dimethyl-
  • NSC62033
  • trans-2,5-dimethylcyclohexanol
  • RUADGOLRFXTMCY-UHFFFAOYSA-N
  • TRA0025134
  • 2,5-Dimethylcyclohexanol(mixtureofisomers)
  • D0704
  • Z2216711768
  • 2,5-Dimethylcyclohexanol, analytical standard, mixture of isomers
  • 2,5-Dimethylcyclohexan-1-ol
  • SCHEMBL992946
  • DTXSID10959030
  • Z1201617039
  • NSC-62033
  • D89706
  • EN300-83994
  • EINECS 223-281-3
  • 3809-32-3
  • AS-58222
  • MFCD00001504
  • AKOS006229596
  • CS-0217766
  • SB83929
  • NSC 62033
  • NS00046507
  • MDL:MFCD00001504
  • InChIKey:RUADGOLRFXTMCY-UHFFFAOYSA-N
  • Inchi:1S/C8H16O/c1-6-3-4-7(2)8(9)5-6/h6-9H,3-5H2,1-2H3
  • SMILES:O([H])C1([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])C([H])([H])[H]
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 128.12000
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Rotatable Bond Count: 0
  • Monoisotopic Mass: 128.12
  • Heavy Atom Count: 9
  • Complexity: 90.6
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 2.2
  • Tautomer Count: nothing
  • Surface Charge: 0
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • LogP: 1.80340
  • PSA: 20.23000
  • Refractive Index: n20/D 1.458
  • Boiling Point: 179°C(lit.)
  • Vapor Pressure: 0.2±0.8 mmHg at 25°C
  • Flash Point: 69 °C
  • Density: 0.908 g/mL at 20 °C(lit.)
Security Information
  • WGK Germany:3
  • Safety Instruction:S23-S24/25
  • Hazard Statement:H227
  • Warning Statement:P210-P280-P370+P378-P403+P235-P501
  • Prompt:warning
  • Storage Condition:4° CStore…,-4℃Store…Better
  • Signal Word:warning
Customs Data
  • HS CODE:2906120090
  • Customs Data:

    China Customs Code:

    2906120090

    Overview:

    2906120090. Cyclohexanol,Dimethyl cyclohexanol. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. Minimum tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2906120090. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

Synthetic Circuit

Synthetic Circuit 1

Reaction Conditions
1.1 Reagents: Oxygen Catalysts: μ-Oxobis[5,10,15,20-tetrakis(2,3,4-trichlorophenyl)-21H,23H-porphinato(2-)-κN21,… ;  4 h, 8 atm, 160 °C
Reference
Preparation of alkylcyclohexanol and alkylcyclohexanone by air oxidation of alkylcyclohexane
, China, , ,
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