2-tert-butyl-4,5-dimethylphenol

Modify Date: 2024-01-03 16:04:26

2-tert-butyl-4,5-dimethylphenol Structure
2-tert-butyl-4,5-dimethylphenol structure
 Common Name 2-tert-butyl-4,5-dimethylphenol
CAS Number 1445-23-4 Molecular Weight 178.27100
Density 0.952g/cm3 Boiling Point 257.7ºC at 760mmHg
Molecular Formula C12H18O Melting Point N/A
MSDS N/A Flash Point 115.7ºC

 Names

Name 2-tert-butyl-4,5-dimethylphenol
Synonym More Synonyms

 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

3,4-Xylenol structure

3,4-Xylenol

CAS#:95-65-8

Isobutylene structure

Isobutylene

CAS#:115-11-7

~99%

2-tert-butyl-4,5-dimethylphenol Structure

2-tert-butyl-4,...

CAS#:1445-23-4

Literature: Alexander; La; Cefalo; Hoveyda; Schrock Journal of the American Chemical Society, 1998 , vol. 120, # 16 p. 4041 - 4042
3,4-Xylenol structure

3,4-Xylenol

CAS#:95-65-8

tert-butyl chloride structure

tert-butyl chloride

CAS#:507-20-0

~92%

2-tert-butyl-4,5-dimethylphenol Structure

2-tert-butyl-4,...

CAS#:1445-23-4

Literature: Martin, Robert; Demerseman, Pierre Synthesis, 1989 , # 1 p. 25 - 28
1,2-dimethyl-4-(tert-butyl)-benzene structure

1,2-dimethyl-4-...

CAS#:7397-06-0

~%

2-tert-butyl-4,5-dimethylphenol Structure

2-tert-butyl-4,...

CAS#:1445-23-4

Literature: Lee, Young Eun; Cao, Trung; Torruellas, Carilyn; Kozlowski, Marisa C. Journal of the American Chemical Society, 2014 , vol. 136, # 19 p. 6782 - 6785
3,4-Xylenol structure

3,4-Xylenol

CAS#:95-65-8

tert-Butanol structure

tert-Butanol

CAS#:75-65-0

~%

2-tert-butyl-4,5-dimethylphenol Structure

2-tert-butyl-4,...

CAS#:1445-23-4

Literature: Selander,H.; Nilsson,J.L.G. Acta Chemica Scandinavica (1947-1973), 1971 , vol. 25, p. 1175 - 1181

 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

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
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