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452-86-8

452-86-8 structure
452-86-8 structure
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
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
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
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%
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