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728-40-5 structure
728-40-5 structure
  • Name: 2,6-Di-tert-butyl-4-nitrophenol
  • Chemical Name: 2,6-ditert-butyl-4-nitrophenol
  • CAS Number: 728-40-5
  • Molecular Formula: C14H21NO3
  • Molecular Weight: 251.32100
  • Create Date: 2018-02-22 08:00:00
  • Modify Date: 2024-01-04 10:42:26

Name 2,6-ditert-butyl-4-nitrophenol
Synonyms 2,6-di-t-butyl-4-nitrophenol
Bayer 4889
Bayer 28,589
2,6-Di-tert-butyl-4-nitrophenol
ENT 25,569
3,5-di-t-butyl-4-hydroxy-nitrobenzene
Phenol,2,6-bis(1,1-dimethylethyl)-4-nitro
2,6-di-tert-butyl-p-nitrophenol
2,6-di(tert-butyl)-4-nitrobenzenol
4-nitro-2,6-bis-(1,1-dimethylethyl)-phenol
Density 1.078g/cm3
Boiling Point 306.6ºC at 760 mmHg
Melting Point 154-156ºC
Molecular Formula C14H21NO3
Molecular Weight 251.32100
Flash Point 118ºC
Exact Mass 251.15200
PSA 66.05000
LogP 4.41860
Index of Refraction 1.525

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SK8400000
CHEMICAL NAME :
Phenol, 2,6-di-tert-butyl-4-nitro-
CAS REGISTRY NUMBER :
728-40-5
BEILSTEIN REFERENCE NO. :
2056124
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C14-H21-N-O3
MOLECULAR WEIGHT :
251.36
WISWESSER LINE NOTATION :
1X1&1&R BQ ENW CX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
28ZEAL "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969 Volume(issue)/page/year: 4,141,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
260 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 3,713,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 3,713,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 3,713,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
580 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 3,713,1961 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
13440 mg/kg/16W-C
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 3,713,1961
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1500 mg/kg/60D-I
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 3,713,1961
RIDADR UN 2811
Packaging Group III
Hazard Class 6.1(b)