Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: 4-methylcatechol
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 4-Methylcatechol
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Zhejiang Hangyu API Co., Ltd
China
Product Name: 4-Methylcatechol
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Henan Tianfu Chemical Co., Ltd.
China
Product Name: 4-Methylcatechol
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452-86-8

452-86-8 structure

452-86-8 structure

Name: 4-methylcatechol
Chemical Name: 4-methylcatechol
CAS Number: 452-86-8
Molecular Formula: C₇H₈O₂
Molecular Weight: 124.137
Catalog: Organic raw materials Hydrocarbon compounds and their derivatives Aromatic hydrocarbon
Create Date: 2018-03-26 08:00:00
Modify Date: 2024-01-02 18:43:24
4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase.

Name	4-methylcatechol
Synonyms	5-Methylcatechol 2-Hydroxy-4-methylphenol 4-Methylbenzol-1,2-diol 1,2-Benzenediol, 4-methyl- Homocatechol 1-Methyl-3,4-dihydroxybenzene 4-methyl-Pyrocatechol p-Methylcatechol 1,2-Dihydroxy-4-methylbenzene 4-Methylpyrocatechol EINECS 207-214-5 4-methylbenzene-1,2-diol 4-methylcatechol 4-Methyl-1,2-benzenediol 4-methyl-1,2-dihydroxybenzene MFCD00002205 3,4-dihydroxytoluene

Description	4-Methylcatechol, a metabolite of p-toluate, is a substrate as well as a suicide inhibitor of Catechol 2,3-Dioxygenase.
Related Catalog	Natural Products >> Others Research Areas >> Others
Target	Human Endogenous Metabolite Catechol 2,3-Dioxygenase
References	[1]. Okuta A, et al. Construction of chimeric catechol 2,3-dioxygenase exhibiting improved activity against the suicide inhibitor 4-methylcatechol. Appl Environ Microbiol. 2004 Mar;70(3):1804-10.

Density	1.2±0.1 g/cm3
Boiling Point	247.7±20.0 °C at 760 mmHg
Melting Point	67-69 °C(lit.)
Molecular Formula	C₇H₈O₂
Molecular Weight	124.137
Flash Point	121.1±16.4 °C
Exact Mass	124.052429
PSA	40.46000
LogP	1.34
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.595
Water Solubility	soluble

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UX1915000

CHEMICAL NAME :: Pyrocatechol, 4-methyl-

CAS REGISTRY NUMBER :: 452-86-8

BEILSTEIN REFERENCE NO. :: 0636512

LAST UPDATED :: 199612

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C7-H8-O2

MOLECULAR WEIGHT :: 124.15

WISWESSER LINE NOTATION :: QR BQ D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 900 mg/kg/51W-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors

MUTATION DATA

TYPE OF TEST :: Cytogenetic analysis

TEST SYSTEM :: Rodent - hamster Ovary

DOSE/DURATION :: 10 mg/L

REFERENCE :: CALEDQ Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- Volume(issue)/page/year: 14,251,1981

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi:Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S36
RIDADR	2811
WGK Germany	3
RTECS	UX1915000
Packaging Group	III
Hazard Class	6.1(b)
HS Code	2907299090

Precursor 8
108-39-4 106-44-5 93-51-6 7145-99-5
1121-69-3 3131-54-2 33632-37-0 139-85-5
DownStream 10
2833-21-8 541-50-4 3897-89-0 144-62-7
494-99-5 93-51-6 152272-65-6 4434-13-3
3131-54-2 50-53-3

HS Code	2907299090
Summary	2907299090 polyphenols; phenol-alcohols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%