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430749

Sigma-Aldrich

Pyrocatechol

purified by sublimation, ≥99.5%

Synonym(s):

1,2-Benzenediol, 1,2-Dihydroxybenzene, 2-Hydroxyphenol, Catechol

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About This Item

Linear Formula:
C6H4-1,2-(OH)2
CAS Number:
120-80-9
Molecular Weight:
110.11
Beilstein:
471401
EC Number:
204-427-5
MDL number:
MFCD00002188
UNSPSC Code:
12352100
PubChem Substance ID:
57650141
NACRES:
NA.21

material

white

Quality Level

100

vapor density

3.8 (vs air)

vapor pressure

1 mmHg ( 75 °C)
10 mmHg ( 118.3 °C)

Assay

≥99.5%

purified by

sublimation

bp

245 °C (lit.)

mp

100-103 °C (lit.)

SMILES string

Oc1ccccc1O

InChI

1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

InChI key

YCIMNLLNPGFGHC-UHFFFAOYSA-N

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Application

Pyrocatechol may be used in the synthesis of micro-mesoporous carbon aerogels.

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Carc. 1B - Eye Dam. 1 - Muta. 2 - Skin Irrit. 2 - Skin Sens. 1

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

260.6 °F - closed cup

Flash Point(C)

127 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

PRTR

Class I Designated Chemical Substances

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

430749-BULK:
430749-VAR:
430749-5G:4548173342665

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Certificates of Analysis (COA)

Lot/Batch Number
0000231371
0000219405
MKBZ2550V
MKBT1422V
MKBS6525V

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Sigma-Aldrich

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Sigma-Aldrich

398047

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Adsorbate-induced modification of surface electronic structure: pyrocatechol adsorption on the anatase TiO2 (101) and rutile TiO2 (110) surfaces.
Syres KL, et al.
The Journal of Physical Chemistry C, 116(44), 23515-23525 (2012)
Eagleson M.
Concise Encyclopedia Chemistry, 915-915 (1994)
Surface characteristics and electrochemical capacitances of carbon aerogels obtained from resorcinol and pyrocatechol using boric and oxalic acids as polymerization catalysts.
Moreno-Castilla C, et al.
Carbon, 49(12), 3808-3819 (2011)
R Zand et al.
Clinical pharmacology and therapeutics, 54(2), 142-149 (1993-08-01)
We studied the effect of isoniazid administration on the cytochrome P4502E1-catalyzed elimination of chlorzoxazone and acetaminophen. Isoniazid, 300 mg daily, was administered for 7 days to a group of 10 volunteer slow acetylators. Acetaminophen, 500 mg, and chlorzoxazone, 750 mg
Jacques Poupaert et al.
Current medicinal chemistry, 12(7), 877-885 (2005-04-28)
The 2(3H)-benzoxazolone heterocycle and its bioisosteric surrogates (such as 2(3H)-benzothiazolinone, benzoxazinone, etc.) have received considerable attention from the medicinal chemists owing to their capacity to mimic a phenol or a catechol moiety in a metabolically stable template. These heterocycles and
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