N-Butyl-N-(4-hydroxybutyl)nitrosamine

Modify Date: 2024-01-04 20:48:02

N-Butyl-N-(4-hydroxybutyl)nitrosamine Structure
N-Butyl-N-(4-hydroxybutyl)nitrosamine structure
Common Name N-Butyl-N-(4-hydroxybutyl)nitrosamine
CAS Number 3817-11-6 Molecular Weight 174.24100
Density 1.02g/cm3 Boiling Point 320.2ºC at 760mmHg
Molecular Formula C8H18N2O2 Melting Point N/A
MSDS N/A Flash Point 147.5ºC

 Names

Name N-butyl-N-(4-hydroxybutyl)nitrous amide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.02g/cm3
Boiling Point 320.2ºC at 760mmHg
Molecular Formula C8H18N2O2
Molecular Weight 174.24100
Flash Point 147.5ºC
Exact Mass 174.13700
PSA 52.90000
LogP 1.54240
Index of Refraction 1.474

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EL1225000
CHEMICAL NAME :
1-Butanol, 4-(butylnitrosoamino)-
CAS REGISTRY NUMBER :
3817-11-6
LAST UPDATED :
199612
DATA ITEMS CITED :
35
MOLECULAR FORMULA :
C8-H18-N2-O2
MOLECULAR WEIGHT :
174.28
WISWESSER LINE NOTATION :
Q4N4&NO

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 :
1800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Vascular - other changes Blood - hemorrhage
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
560 mg/kg/8W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors Tumorigenic - increased incidence of tumors in susceptible strains
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
800 mg/kg/10W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
10 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors Blood - normocytic anemia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
100 mg/kg female 14 day(s) after conception
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Reproductive - Tumorigenic effects - transplacental tumorigenesis Endocrine - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
22500 mg/kg/75W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - colon tumors Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2400 mg/kg/8W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1348 mg/kg/8W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
280 mg/kg/4W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1400 mg/kg/8W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2800 mg/kg/8W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1820 mg/kg/26W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
12 gm/kg/43W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1200 mg/kg/10W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1638 mg/kg/20W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2100 mg/kg/6W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
Morphological transformation
TYPE OF TEST :
Unscheduled DNA synthesis

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
900 mg/L/27H
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 66,277,1979 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 17,51,1978 TOXICOLOGY REVIEW GMCRDC Gann Monograph on Cancer Research. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No. 11- 1971- Volume(issue)/page/year: 17,161,1975 TOXICOLOGY REVIEW ADCSAJ Advances in Chemistry Series. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) No.1- 1950- Volume(issue)/page/year: 13,271,1970 TOXICOLOGY REVIEW NUCADQ Nutrition and Cancer. (Franklin Institute Press, POB 2266, Phildelphia, PA 19103) V.1- 1978- Volume(issue)/page/year: 3,109,1981 TOXICOLOGY REVIEW BLFSBY Basic Life Sciences. (Plenum Pub. Corp., 223 Spring St., New York, NY 10003) V.1- 1973- Volume(issue)/page/year: 24,253,1983

 Safety Information

Hazard Codes T: Toxic;
Risk Phrases 45-22
Safety Phrases S53
RTECS EL1225000
HS Code 2928000090

 Synthetic Route

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N-Butyl-N-(4-hydroxybutyl)nitrosamine Structure

N-Butyl-N-(4-hy...

CAS#:3817-11-6

Literature: Tetrahedron Letters, , vol. No. 8, p. 593 - 596

~%

N-Butyl-N-(4-hydroxybutyl)nitrosamine Structure

N-Butyl-N-(4-hy...

CAS#:3817-11-6

Literature: Chemical and Pharmaceutical Bulletin, , vol. 26, # 12 p. 3891 - 3896

 Customs

HS Code 2928000090
Summary 2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

 Synonyms

4-Hydroxybutylbutylnitrosamine
N-Butyl-N-butan-4-ol-nitrosamine
N-Nitrosobutylbutanolamine
Butyl-butanol-nitrosamine
N-N-Butyl-N-Butan-4-Ol-Nitrosamine
Butylhydroxybutylnitrosamine
N-Butyl-N-(4-hydroxybutyl)nitrosaMine