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

Modify Date: 2025-08-23 20:59:16

2,4-Xylenol, 6-tert-butyl- Structure
2,4-Xylenol, 6-tert-butyl- structure
 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 N/A 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

 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

 Synthetic Route

 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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