1445-23-4

1445-23-4 structure

Name: 2-tert-butyl-4,5-dimethylphenol
Chemical Name: 2-tert-butyl-4,5-dimethylphenol
CAS Number: 1445-23-4
Molecular Formula: C₁₂H₁₈O
Molecular Weight: 178.27100
Create Date: 2018-07-16 22:34:13
Modify Date: 2025-08-22 17:44:08

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

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

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

HS Code	2907199090

95-65-8

115-11-7

~99%

1445-23-4

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

95-65-8

507-20-0

~92%

1445-23-4

Literature: Martin, Robert; Demerseman, Pierre Synthesis, 1989 , # 1 p. 25 - 28

7397-06-0

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

95-65-8

75-65-0

1445-23-4

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

Precursor 5
95-65-8 115-11-7 507-20-0 7397-06-0
75-65-0
DownStream 1
101203-31-0

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%

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