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90-05-1

90-05-1 structure
90-05-1 structure
  • Name: Guaiacol
  • Chemical Name: guaiacol
  • CAS Number: 90-05-1
  • Molecular Formula: C7H8O2
  • Molecular Weight: 124.14
  • Catalog: Chemical reagent Organic reagent Boric acid
  • Create Date: 2018-05-21 08:00:00
  • Modify Date: 2024-01-02 16:02:01
  • Guaiacol, a phenolic compound isolated from Guaiac resin, inhibits LPS-stimulated COX-2 expression and NF-κB activation[1]. Anti-inflammatory activity[1].
Name guaiacol
Synonyms 5-fluoro-2,3-dihydro-1h-isoindole
2-Methoxyphenol
methoxyphenol
2,3-dihydro-6-fluoro-1H-indole
o-Methoxyphenol
Guaiacol
MFCD00002185
Indoline, 6-fluoro-
2-Hydroxyanisole
2-Methoxy-phenol
o-Methylcatechol
2,3-dihydro-6-fluoroindole
Catechol, Methyl
o-methoxy-Phenol
6-Fluor-indolin
6-Fluoroindoline
ORTHO-METHOXYPHENOL
6-fluoro-2,3-dihydro-indole
Phenol, 2-methoxy-
o-methoxy catechol
O-Methyl catechol
1H-Indole, 6-fluoro-2,3-dihydro-
Indoline,6-fluoro
Methylcatechol
EINECS 201-964-7
Catechol monomethyl ether
o-Hydroxyanisole
Description Guaiacol, a phenolic compound isolated from Guaiac resin, inhibits LPS-stimulated COX-2 expression and NF-κB activation[1]. Anti-inflammatory activity[1].
Related Catalog
Target

COX-2

NF-κB

In Vitro Guaiacol inhibits LPS-stimulated nuclear factor kappa B (NF-κB) activation and cyclooxygenase (COX)-2 gene expression in cells of the RAW 264.7 murine macrophage cell line. Phenolic compounds such as Phenol, Eugenol, Guaiacol and Vanillin inhibit sheep vesicular gland prostaglandin cyclooxygenase, as indicated by their 50% inhibition concentrations, which decline in the following order: Phenol (1600 μM) > Vanillin (>500 μM) > Guaiacol (72 μM) > Eugenol (12 μM)[1].
References

[1]. Murakami Y, et al. Re-evaluation of cyclooxygenase-2-inhibiting activity of vanillin and Guaiacol in macrophages stimulated with lipopolysaccharide. Anticancer Res. 2007 Mar-Apr;27(2):801-7.
Density 1.2±0.1 g/cm3
Boiling Point 207.5±29.0 °C at 760 mmHg
Melting Point 26-29 °C(lit.)
Molecular Formula C7H8O2
Molecular Weight 124.14
Flash Point 79.3±24.3 °C
PSA 29.46000
LogP 2.11
Vapour density 4.27 (vs air)
Vapour Pressure 0.2±0.4 mmHg at 25°C
Index of Refraction 1.538
Storage condition Refrigerator
Stability Stable, but air and light sensitive. Combustible. Incompatible with strong oxidizing agents.
Water Solubility 17 g/L (15 ºC)
Freezing Point 28℃

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SL7525000
CHEMICAL NAME :
Phenol, o-methoxy-
CAS REGISTRY NUMBER :
90-05-1
LAST UPDATED :
199710
DATA ITEMS CITED :
23
MOLECULAR FORMULA :
C7-H8-O2
MOLECULAR WEIGHT :
124.15
WISWESSER LINE NOTATION :
QR BO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
43 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Gastrointestinal - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
520 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
621 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7570 mg/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
170 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
4600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
3700 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Bird - pigeon
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
21215 mg/kg/40D-I
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
500 umol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 169,129,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2844 No. of Facilities: 55 (estimated) No. of Industries: 2 No. of Occupations: 9 No. of Employees: 1596 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2844 No. of Facilities: 34 (estimated) No. of Industries: 3 No. of Occupations: 8 No. of Employees: 2101 (estimated) No. of Female Employees: 297 (estimated)
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H315-H319
Precautionary Statements P280-P301 + P312 + P330-P305 + P351 + P338-P337 + P313
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xn:Harmful
Risk Phrases R22;R36/38
Safety Phrases S26
RIDADR 2810
WGK Germany 1
RTECS SL7525000
Packaging Group II
Hazard Class 6.1(b)
HS Code 2909500000
HS Code 2909500000
Summary 2909500000 ether-phenols, ether-alcohol-phenols and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Chemsrc provides CAS#:90-05-1 MSDS, density, melting point, boiling point, structure, formula, molecular weight, synthetic route, etc.
title: CAS No. 90-05-1 | Chemsrc address: https://m.chemsrc.com/en/baike/1191714.html

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