Quick Facts
Instance of
type of chemical entity
Instance of
type of chemical entity
Part of
tryptophan catabolic process to catechol, catechol-containing siderophore biosynthetic process, toluene oxidation to catechol, (R)-mandelate catabolic process to catechol, catechol oxidase activity, catechol 1,2-dioxygenase activity, catechol 2,3-dioxygenase activity, 2-chlorobenzoate 1,2-dioxygenase activity, salicylate 1-monooxygenase activity, phenol 2-monooxygenase activity, trans-1,2-dihydrobenzene-1,2-diol dehydrogenase activity, 1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate dehydrogenase activity, 2-nitrophenol 2-monooxygenase activity, catechol oxidase (dimerizing) activity, o-pyrocatechuate decarboxylase activity, protocatechuate decarboxylase activity, cis-1,2-dihydrobenzene-1,2-diol dehydrogenase activity
Properties
Associated hazard
catechol exposure
Boiling point
474.0
Canonical smiles
C1=CC=C(C(=C1)O)O
Chemical formula
C₆H₆O₂
Density
1.34
Flash point
261.0
Found in taxon
Rorippa indica, Achillea millefolium, Gymnadenia conopsea, Illicium fargesii, Posidonia oceanica, Alchornea latifolia, Caesulia axillaris, Hypericum perforatum, Phycomyces blakesleeanus, Pinus densiflora, Populus lasiocarpa, Populus tremula, Populus tremuloides, Quercus robur, Salix interior, Spiraea hypericifolia, Viola arvensis, Vitis vinifera, Homo sapiens, Coffea, Rumex japonicus, Aloe ferox, Vincetoxicum mongolicum, Streptomyces, Salix purpurea, Illicium verum, pomegranate, Aloe africana, Fragaria, Dactylorhiza hatagirea, Picea abies, Illicium simonsii, Vachellia nilotica, Xanthium orientale, Xanthium strumarium, Prunus persica
Has effect
catechol exposure
Lower flammable limit
1.4
Mass
110.037
Melting point
221.0, 106.0
Niosh pocket guide id
0109
Part of
tryptophan catabolic process to catechol, catechol-containing siderophore biosynthetic process, toluene oxidation to catechol, (R)-mandelate catabolic process to catechol, catechol oxidase activity, catechol 1,2-dioxygenase activity, catechol 2,3-dioxygenase activity, 2-chlorobenzoate 1,2-dioxygenase activity, salicylate 1-monooxygenase activity, phenol 2-monooxygenase activity, trans-1,2-dihydrobenzene-1,2-diol dehydrogenase activity, 1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate dehydrogenase activity, 2-nitrophenol 2-monooxygenase activity, catechol oxidase (dimerizing) activity, o-pyrocatechuate decarboxylase activity, protocatechuate decarboxylase activity, cis-1,2-dihydrobenzene-1,2-diol dehydrogenase activity
Solubility
44.0
Time-weighted average exposure limit
20.0
Vapor pressure
10.0
External References (54)
Ca prop 65 id
catechol
Cameo chemicals id
8407
Cannabis database id
004873
Cas registry number
120-80-9
Ccdc number
185293
Chebi id
18135
Chembl id
CHEMBL280998
Chemspider id
13837760
Csd refcode
CATCOL13
Drugbank id
DB02232
Dsstox compound identifier
DTXCID30257
Dsstox substance id
DTXSID3020257
Ec number
204-427-5
Echa substance infocard id
100.004.025
Fl number
04.029
Freebase id
/m/05hzb9
Gmelin number
2936
Great encyclopedia of cyril and methodius entry id
Пирокатехин
Great norwegian encyclopedia id
pyrokatekol
Great russian encyclopedia portal id
pirokatekhin-2c69c2
Hcis id
393
Hsdb id
1436
Human metabolome database id
HMDB0000957
Icsc id
0411
Inchi
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Inchikey
YCIMNLLNPGFGHC-UHFFFAOYSA-N
Jstor topic id (archived)
catechols
Kegg id
C00090
Knapsack id
C00002644
Library of congress authority id
sh85020984
Massbank accession id
MSBNK-Fac_Eng_Univ_Tokyo-JP000026, MSBNK-BGC_Munich-RP012001, MSBNK-BGC_Munich-RP012002, MSBNK-BGC_Munich-RP012003, MSBNK-BGC_Munich-RP012011, MSBNK-BGC_Munich-RP012012, MSBNK-BGC_Munich-RP012013, MSBNK-Fac_Eng_Univ_Tokyo-JP003646, MSBNK-Fac_Eng_Univ_Tokyo-JP011769, MSBNK-Osaka_Univ-OUF00134, MSBNK-RIKEN-PR100635, MSBNK-RIKEN-PR100636, MSBNK-Fac_Eng_Univ_Tokyo-JP005703
Microsoft academic id (discontinued)
2777713698
Nalt id
57747, 22964
National library of israel j9u id
987007284853905171
Ndf-rt id
N0000181683
Nmrshiftdb structure id
10015977
Nsc number
1573
Openalex id
C2777713698
Osha occupational chemical database id
160
Pdb ligand id
CAQ
Pdb structure id
2BUY, 2BUQ, 1DLT, 2PUM, 4QON, 3HHY, 3FW4, 4K7I, 3T67, 5KBI, 1XEP, 1KND, 4ZXT, 3MI5, 3O4M, 4OOW
Probes and drugs id
PD002773
Pubchem cid
289
Reaxys registry number
471401
Rtecs number
UX1050000
Römpp online id
RD-02-02571
Splash
splash10-03di-9600000000-032a40483dec93738075, splash10-03di-7900000000-83f892852c355a3863e9, splash10-03di-9400000000-90885264baa17f65d954, splash10-0udr-1950000000-16187bb35dcb40c26e78, splash10-0a4i-0900000000-c94dab4d218dbb3bb108, splash10-0a4i-1900000000-edd8ba1e77bbb2f76304, splash10-0a4i-0900000000-12053747e62e910151ad, splash10-00kr-9000000000-df14f05fc9928a308d83, splash10-014i-9000000000-b09e5115bad7f6a00494, splash10-0udr-1930000000-24d2e0a8e36245d9e187, splash10-014i-9000000000-632cabc9b371835019c1, splash10-02t9-9200000000-ac902cb99981017de3b5, splash10-01ox-9400000000-d59dce8c5e56b026f8b2, splash10-03di-9600000000-b8e03f4f3ea89044828e
Surechembl id
18351
Um-bbd compound id
c0097
Umls cui
C0054858
Unichem compound id
156147
Unii
LF3AJ089DQ
Yale lux id
concept/8c1010e1-ce12-4aef-b6ef-63d2fa7c821a
Zvg number
10700