CAS 1879-09-0|2,4-Xylenol, 6-tert-butyl-

Introduction：Basic information about CAS 1879-09-0|2,4-Xylenol, 6-tert-butyl-, 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
4. Safety Information
5. Customs
6. Synonyms

Common Name	2,4-Xylenol, 6-tert-butyl-
CAS Number	1879-09-0	Molecular Weight	178.271
Density	1.0±0.1 g/cm3	Boiling Point	249.0±0.0 °C at 760 mmHg
Molecular Formula	C₁₂H₁₈O	Melting Point	22 °C
MSDS	/	Flash Point	111.7±0.0 °C

Names

Name	2-tert-butyl-4,6-dimethylphenol
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.0±0.1 g/cm3
Boiling Point	249.0±0.0 °C at 760 mmHg
Melting Point	22 °C
Molecular Formula	C₁₂H₁₈O
Molecular Weight	178.271
Flash Point	111.7±0.0 °C
Exact Mass	178.135757
PSA	20.23000
LogP	4.09
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.512
InChIKey	OPLCSTZDXXUYDU-UHFFFAOYSA-N
SMILES	Cc1cc(C)c(O)c(C(C)(C)C)c1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ZE6825000

CHEMICAL NAME :: 2,4-Xylenol, 6-tert-butyl-

CAS REGISTRY NUMBER :: 1879-09-0

BEILSTEIN REFERENCE NO. :: 1941702

LAST UPDATED :: 199710

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C12-H18-O

MOLECULAR WEIGHT :: 178.30

WISWESSER LINE NOTATION :: QR B1 D1 F1X1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1400 mg/kg

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

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 38,366,1949

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 530 mg/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - acute pulmonary edema Gastrointestinal - ulceration or bleeding from small intestine

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 38,366,1949

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 55 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - other changes

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 38,366,1949

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 55 mg/kg

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

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 38,366,1949

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 420 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - other changes

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 38,366,1949

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 7100 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - other changes

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 38,366,1949 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2331 No. of Facilities: 736 (estimated) No. of Industries: 7 No. of Occupations: 8 No. of Employees: 12254 (estimated) No. of Female Employees: 786 (estimated)

Safety Information

Hazard Codes	Xn:Harmful;
Risk Phrases	R20/21/22;R36/37/38
Safety Phrases	S26-S36/37/39
RIDADR	2927
RTECS	ZE6825000
Packaging Group	I
Hazard Class	6.1(a)
HS Code	2907199090

Customs

HS Code	2907199090
Summary	2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Synonyms

2,4-Xylenol, 6-tert-butyl-

6-t-Butyl-2,4-xylenol

2,4-dimethyl-6-t-butylphenol

Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-

6-tert-Butyl-2,4-xylenol

2-Tert-Butyl-4,6-Dimethylphenol

6-t-Butyl-2,4-dimethylphenol

2,4-Dimethyl-6-(2-methyl-2-propanyl)phenol

2,4-dimethyl-6-tert-butyl-phenol

2-(1,1-dimethylethyl)-4,6-dimethylphenol

6-(tert-Butyl)-2,4-xylenol

6-tert-Butyl-2,4-dimethylphenol

EINECS 217-533-1

Prodox 340

TOPANOL A

MFCD00002234

2-(tert-Butyl)-4,6-dimethyl phenol

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