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

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Names

[ CAS No. ]:
1879-09-0

[ Name ]:
2,4-Xylenol, 6-tert-butyl-

[Synonym ]:
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

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

MSDS

Click to get detail MSDS

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,4-xylenol
  • Isobutylene
  • Butylated hydroxytoluene
  • 4,4'-Methylenebis(2,6-di-tert-butylphenol)
  • 2,6-ditert-butyl-4-(chloromethyl)phenol
  • Methanol
  • 2,2'-Methylenebis(6-tert-butyl-4-methylphenol)
  • 6-T-BUTYL-2-METHYLPHENOL
  • tert-Butanol
  • 6-tert-butyl-2-(2'-methoxy-3'-tert-butyl-5'-methylbenzyl)-4-methylphenol

DownStream

  • 1,1-DIPHENYL-2-PICRYLHYDRAZINE
  • Acetamide,N-(1,1-dimethylethyl)-
  • 4-tert-butyl-2,5,7-trimethylbenzoxazole
  • 2,4-xylenol
  • Isobutylene
  • 6-tert-butyl-3-(chloromethyl)-2,4-dimethylphenol
  • 2-tert-butyl-4,6-dimethylphenol,formic acid
  • 3-(bromomethyl)-6-(tert-butyl)-2,4-xylenol

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%

Related Compounds

  • 2,2'-thiobis[6-tert-butyl-3,4-xylenol]
  • 2,2'-methylenebis[6-tert-butyl-3,4-xylenol]
  • 2-[4-[(6-tert-butyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]piperazin-2-yl]ethanol,dihydrochloride
  • 2,4,6-tri-tert-butyl-4-(4-methyl-1H-imidazol-1-yl)cyclohexa-2,5-dien-1-one
  • 2,4,6-tri(tert-butyl)phenol sodium salt
  • 2,4,6-tri-tert-butyl-6-hydroxy-cyclohexa-2,4-dienone