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4-Hydroxybutylbutylnitrosamine

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4-Hydroxybutylbutylnitrosamine

EINECS 625-015-5
CAS No. 3817-11-6 Density 1.02g/cm3
PSA 52.90000 LogP 1.54240
Solubility moderate Melting Point N/A
Formula C8H18 N2 O2 Boiling Point 320.2°Cat760mmHg
Molecular Weight 174.243 Flash Point 147.5°C
Transport Information N/A Appearance red liquid
Safety Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. Risk Codes 45-22
Molecular Structure Molecular Structure of 3817-11-6 (N-N-BUTYL-N-BUTAN-4-OL-NITROSAMINE) Hazard Symbols
Synonyms

1-Butanol,4-(butylnitrosamino)- (7CI,8CI); 4-Hydroxybutylbutylnitrosamine; BBN;Butyl(4-hydroxybutyl)nitrosamine; Butylbutanolnitrosamine;N-Butyl-N-(1-hydroxybutyl)nitrosamine; N-Butyl-N-(4-hydroxybutyl)nitrosamine;N-Nitrosobutyl-4-hydroxybutylamine; N-Nitrosobutylbutan-4-olamine

Article Data 2

4-Hydroxybutylbutylnitrosamine Chemical Properties

Product Name: 4-Hydroxybutylbutylnitrosamine (CAS NO.3817-11-6)


Molecular Formula: C8H18N2O2
Molecular Weight: 174.24g/mol
Mol File: 3817-11-6.mol
Appearance: Dark red liquid
Boiling point: 167 °C / 5mmHg
Storage Temperature: Refrigerator
Flash Point: 147.5 °C
Density: 1.02 g/cm3
Stability: Stability
Surface Tension: 37.1 dyne/cm
Enthalpy of Vaporization: 65.13 kJ/mol
Vapour Pressure: 2.62E-05 mmHg at 25°C
XLogP3-AA: 1.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 4-Hydroxybutylbutylnitrosamine (CAS NO.3817-11-6):
  IUPAC Name: N-butyl-N-(4-hydroxybutyl)nitrous amide
  Canonical SMILES: CCCCN(CCCCO)N=O
  InChI: InChI=1S/C8H18N2O2/c1-2-3-6-10(9-12)7-4-5-8-11/h11H,2-8H2,1H3 
  InChIKey: DIKPQFXYECAYPC-UHFFFAOYSA-N

4-Hydroxybutylbutylnitrosamine Toxicity Data With Reference

1.    

mma-sat 10 µmol/plate

    MUREAV    Mutation Research. 140 (1984),147.
2.    

sce-rat:lvr 1500 µmol/L

    MUREAV    Mutation Research. 93 (1982),409.
3.    

cyt-ham:lng 900 mg/L/27H

    MUREAV    Mutation Research. 66 (1979),277.
4.    

orl-rat LD50:1800 mg/kg

    XENOBH    Xenobiotica. 3 (1973),271.
5.    

scu-ham LD50:3 g/kg

    CALEDQ    Cancer Letters (Shannon, Ireland). 1 (1975),15.

4-Hydroxybutylbutylnitrosamine Consensus Reports

NTP 10th Report on Carcinogens. IARC Cancer Review: Animal Sufficient Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 17 , 1978,p. 51.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

4-Hydroxybutylbutylnitrosamine Safety Profile

Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Safety Information of 4-Hydroxybutylbutylnitrosamine (CAS NO.3817-11-6):
Hazard Codes: TToxic
Risk Statements: 45-22 
22:  Harmful if swallowed
45:  May cause cancer
Safety Statements: 53
53:  Avoid exposure - obtain special instruction before use 
RTECS: EL1225000

4-Hydroxybutylbutylnitrosamine Specification

 4-Hydroxybutylbutylnitrosamine , its CAS NO. is 3817-11-6, the synonyms are 4-(Butylnitrosamino)-1-butanol ; 4-(Butylnitrosoamino)butanol ; 4-(N-Butylnitrosamino)-1-butanol ; BBN ; BRN 2080574 ; Butanol (4)-butyl-nitrosamine ; Butyl-butanol(4)-nitrosamin ; Butyl-butanol-nitrosamine ; CCRIS 836 ; Dibutylamine, 4-hydroxy-N-nitroso- ; N-Butyl-(4-hydroxybutyl)nitrosamine ; N-Butyl-N-(4-hydroxybutyl)nitrosamine ; N-Nitroso-N-butyl-(4-hydroxybutyl)amine ; N-Nitrosobutylbutanolamine ; 1-Butanol, 4-(butylnitrosoamino)- .

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