CAS 98-29-3|4-tert-Butylcatechol

Introduction：Basic information about CAS 98-29-3|4-tert-Butylcatechol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
4. Safety Information
5. Customs
6. Articles31
7. Synonyms

Common Name	4-tert-Butylcatechol
CAS Number	98-29-3	Molecular Weight	166.217
Density	1.1±0.1 g/cm3	Boiling Point	286.3±20.0 °C at 760 mmHg
Molecular Formula	C₁₀H₁₄O₂	Melting Point	52-55 °C(lit.)
MSDS	ChineseUSA	Flash Point	135.5±16.4 °C
Symbol	GHS05, GHS07, GHS09	Signal Word	Danger

Names

Name	4-tert-Butylcatechol
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	286.3±20.0 °C at 760 mmHg
Melting Point	52-55 °C(lit.)
Molecular Formula	C₁₀H₁₄O₂
Molecular Weight	166.217
Flash Point	135.5±16.4 °C
Exact Mass	166.099380
PSA	40.46000
LogP	2.57
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.545
InChIKey	XESZUVZBAMCAEJ-UHFFFAOYSA-N
SMILES	CC(C)(C)c1ccc(O)c(O)c1
Water Solubility	0.2 g/100 mL (25 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UX1400000

CHEMICAL NAME :: Pyrocatechol, 4-tert-butyl-

CAS REGISTRY NUMBER :: 98-29-3

BEILSTEIN REFERENCE NO. :: 2043335

LAST UPDATED :: 199806

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C10-H14-O2

MOLECULAR WEIGHT :: 166.24

WISWESSER LINE NOTATION :: QR BQ DX1&1&1

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 :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2820 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 :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2 gm/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Skin and Appendages - hair

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 32 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 :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 630 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in mammalian somatic cells

TEST SYSTEM :: Rodent - mouse Lymphocyte

DOSE/DURATION :: 80 ug/L

REFERENCE :: EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 11,523,1988 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83681 No. of Facilities: 362 (estimated) No. of Industries: 7 No. of Occupations: 13 No. of Employees: 3887 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83681 No. of Facilities: 1695 (estimated) No. of Industries: 24 No. of Occupations: 43 No. of Employees: 27528 (estimated) No. of Female Employees: 4295 (estimated)

Safety Information

Symbol	GHS05, GHS07, GHS09
Signal Word	Danger
Hazard Statements	H302 + H312-H314-H317-H410
Precautionary Statements	P273-P280-P305 + P351 + P338-P310-P501
Personal Protective Equipment	Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes	C:Corrosive;
Risk Phrases	R21;R34;R43
Safety Phrases	S26-S36/37/39-S45-S61-S24
RIDADR	UN 2923 8/PG 3
WGK Germany	2
RTECS	UX1400000
Packaging Group	III
Hazard Class	8
HS Code	29072900

Customs

HS Code	29072900

Articles31

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Synonyms

4-tert-Butylbenzene-1,2-diol

EINECS 202-653-9

4-tert-Butylcatechol

1,2-Benzenediol, 4- (1,1-dimethylethyl)-

p-tert-Butyl catechol

4-tert-Butyl-pyrocatechol

MFCD00002201

1,2-Benzenediol, 4-(1,1-dimethylethyl)-

4-(2-Methyl-2-propanyl)-1,2-benzenediol

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