2-tert-butyl-4,5-dimethylphenol

Names

[ CAS No. ]:
1445-23-4

[ Name ]:
2-tert-butyl-4,5-dimethylphenol

[Synonym ]:
5-Hydroxy-1.2-dimethyl-4-tert.-butyl-benzol
3,4-Dimethyl-6-tert-Butylphenol
3,4-Xylenol,6-tert-butyl
6-tert-Butyl-3,4-xylenol
EINECS 215-891-3
2-tert-Butyl-4,5-dimethyl-phenol
2-(1,1-dimethylethyl)-4,5-dimethyl-phenol
2-tert-Butyl-4,5-xylenol

Chemical & Physical Properties

[ Density]:
0.952g/cm3

[ Boiling Point ]:
257.7ºC at 760mmHg

[ Molecular Formula ]:
C12H18O

[ Molecular Weight ]:
178.27100

[ Flash Point ]:
115.7ºC

[ Exact Mass ]:
178.13600

[ PSA ]:
20.23000

[ LogP ]:
3.30650

[ Vapour Pressure ]:
0.0089mmHg at 25°C

[ Index of Refraction ]:
1.512

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ZE6830000
CHEMICAL NAME :
3,4-Xylenol, 6-tert-butyl-
CAS REGISTRY NUMBER :
1445-23-4
BEILSTEIN REFERENCE NO. :
2327366
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C12-H18-O
MOLECULAR WEIGHT :
178.30
WISWESSER LINE NOTATION :
QR C1 D1 FX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1030 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
710 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967

Safety Information

[ HS Code ]:
2907199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3,4-Xylenol
  • Isobutylene
  • tert-butyl chloride
  • 1,2-dimethyl-4-(tert-butyl)-benzene
  • tert-Butanol

DownStream

  • 3,3'-Di-tert-butyl-5,5',6,6'-tetramethyl-[1,1'-biphenyl]-2,2'-diol

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-tert-butyl-4-[(5-tert-butyl-2-ethyl-4-hydroxyphenyl)methyl]-5-ethylphenol
  • 2-tert-butyl-4,5,7-trinitrofluoren-9-one
  • 2-(TERT-BUTYL)-4,5,6-TRIMETHYL-3-NITROPHENYL ISOTHIOCYANATE
  • 2-(tert-butyl)-4,5-dichloro-1H-imidazole
  • 2-tert-butyl-4,5,6,7-tetramethylisoindole
  • 2-tert-butyl-4,5-dihydro-5-(6-methoxynaphth-2-yl)-1,3-dioxepin