Cas no 12385-08-9 (Benzenediol)

Benzenediol structure
Benzenediol structure
Product Name:Benzenediol
CAS No:12385-08-9
MF:C6H6O2
MW:110.110641956329
CID:199809
PubChem ID:289
Update Time:2025-04-19

Benzenediol Chemical and Physical Properties

Names and Identifiers

    • Benzenediol
    • benzene-1,2-diol
    • Dihydroxybenzene
    • Catechin (phenol)
    • MFCD00002188
    • C01785
    • 1,2-Benzenediol-1,2,3,4,5,6-13C6
    • MLS002303022
    • alpha-hydroxyphenol
    • 2-hydroxyphenol
    • s6305
    • Durafur developer C
    • Pelagol Grey C
    • benzene diol
    • NCGC00091262-03
    • 1,2-Dihydroxybenzene 1000 microg/mL in Dichloromethane
    • Catechol (Pyrocatechol; Benzene-1,2-diol)
    • C.I. 76500
    • UNII-LF3AJ089DQ
    • Lopac0_000280
    • ortho-Dihydroxybenzene
    • ortho-diphenol
    • SDCCGSBI-0050268.P002
    • NCGC00253952-01
    • PYROCATECHOL [INCI]
    • o-Phenylenediol
    • BRN 0471401
    • CCG-204375
    • CHEMBL280998
    • Tox21_300153
    • Pyrocatechinic acidPyrocatechol
    • pyrocatechin
    • HMS3373K16
    • Tox21_500280
    • Kachin
    • NCGC00015283-05
    • CAQ
    • EINECS 204-427-5
    • o-Dioxybenzene
    • HSDB 1436
    • BS-20054
    • AKOS000119002
    • A804599
    • Phthalhydroquinone
    • Pyrocatechol, p.a., 99.0%
    • NCGC00260965-01
    • Catechol-pyrocatechol
    • CHEBI:18135
    • EC 204-427-5
    • FT-0606411
    • NCGC00015283-03
    • Oxyphenic acid
    • Tox21_202317
    • EN300-19426
    • Catechol (phenol)
    • C.I. Oxidation Base 26
    • SCHEMBL18351
    • WLN: QR BQ
    • InChI=1/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8
    • C.I.-76500
    • NCGC00015283-02
    • Z104473810
    • SR-01000075791-1
    • Fouramine PCH
    • o-Dihydroxybenzene
    • Pyrokatechin
    • W-109068
    • HMS2233A17
    • BIDD:ER0327
    • Pyrokatechol [Czech]
    • AI3-03995
    • 26982-53-6
    • o-dihydroxy-benzene
    • NSC 1573
    • 1,2-benzenediol
    • CI 76500
    • AB-131/40235236
    • P0317
    • BP-21156
    • PYROCATECHOL [MI]
    • NCGC00259866-01
    • Pyrocatechol, purified by sublimation, >=99.5%
    • 1,2-Dihydroxybenzene, ReagentPlus(R), >=99%
    • C 9510
    • o-Hydroxyphenol
    • DB02232
    • bmse000385
    • Katechol [Czech]
    • HMS3260H22
    • NCGC00015283-01
    • ortho-Phenylenediol
    • Durafur Developer CFouramine PCH
    • NCGC00015283-10
    • 1,2-dihydroxybenzene
    • CATECHOL [IARC]
    • ortho-Hydroxyphenol
    • o-Benzenediol
    • Pyrocatechol, plant cell culture tested, BioReagent, >=99%, powder
    • NCGC00091262-01
    • NS00007130
    • LP00280
    • C00090
    • 1,2-Dihydroxybenzene-d6
    • 1,2-Dihydroxybenzene, XI
    • NCGC00015283-06
    • Pyrokatechin [Czech]
    • Pyrocatechinic acid
    • F0001-0332
    • o-Diphenol
    • 4k7i
    • ortho-Benzenediol
    • CATECHOL [VANDF]
    • o-Hydroquinone
    • CATECHOL [HSDB]
    • Pyrocatechol, certified reference material, TraceCERT(R)
    • 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,(2R-trans)-
    • MLS002153385
    • Pyrocatechine
    • 1,?2-?Benzenediol
    • pyrocatechol
    • SR-01000075791
    • Lopac-C-9510
    • NCGC00015283-08
    • NCI-C55856
    • Fourrine 68
    • BDBM26188
    • Benzene, o-dihydroxy-
    • ortho-Dioxybenzene
    • DTXCID30257
    • P0567
    • 1,2-Benzenediol; Catechol
    • catechol
    • D91943
    • CCRIS 741
    • EU-0100280
    • Phthalic alcohol
    • ortho-Hydroquinone
    • CI Oxidation Base 26
    • NSC1573
    • Oxyphenate
    • DTXSID3020257
    • ortho-Quinol
    • 3fw4
    • NCGC00091262-02
    • 4oow
    • 1,2-benzenedio
    • 12385-08-9
    • NCGC00015283-07
    • LF3AJ089DQ
    • 120-80-9
    • NSC-1573
    • Benzene-1,2-diol (Pyrocatechol)
    • Q282440
    • NCGC00015283-04
    • CAS-120-80-9
    • Pyrocatechol, >=99%
    • phenol derivative, 2
    • AC-34196
    • Pyrokatechol
    • Katechol
    • SMR000326660
    • Inchi： 1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
    • InChI Key： YCIMNLLNPGFGHC-UHFFFAOYSA-N
    • SMILES： OC1C=CC=CC=1O

Computed Properties

  • Exact Mass: 110.03678
  • Monoisotopic Mass: 110.036779
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 62.9
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.9
  • Topological Polar Surface Area: 40.5

Experimental Properties

  • Density: 3.79 (NTP, 1992) (Relative to Air)
  • Melting Point: 105 deg C
  • Boiling Point: 245.5 deg C at 760 mm Hg; sublimes
  • Flash Point: 261 °F (NTP, 1992)
  • Refractive Index: Index of refraction: 1.604 at 25 °C
  • PSA: 40.46
  • LogP: log Kow = 0.88

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