CAS 3817-11-6 MFCD00059008-N-Butyl-N-Butan-4-ol-Nitrosamine N-丁基-N-(4-羟丁基)亚硝胺 TAO{mole}

N-Butyl-N-Butan-4-ol-Nitrosamine N-丁基-N-(4-羟丁基)亚硝胺

CAS 3817-11-6 MFCD00059008

化学结构图

SMILES: CCCCN(CCCCO)N=O

化学属性

Mol. Formula	C8H18N2O2
Mol. Weight	174.24
Refractive index	1.4700 to 1.4740
Boiling Point	167°C/5mmHg(lit.)

别名和识别编码

Chemical Name	N-Butyl-N-Butan-4-ol-Nitrosamine
MDL Number	MFCD00059008
CAS Number	3817-11-6
Synonym	4-(Butylnitrosamino)-1-butanol 4-(n-Butylnitrosamino)-1-butanol 4-Hydroxybutylbutylnitrosamine BBN BBN N-Butyl-N-butan-4-ol-nitrosamine N-Butyl-N-nitroso-4-aminobutanol OH-BBN Butanol (4)-butyl-nitrosamine Butyl-butanol(4)-nitrosamin Butyl-butanol-nitrosamine Dibutylamine, 4-hydroxy-N-nitroso- N-Butyl-N-(4-hydroxybutyl)nitrosamine N-Nitroso-n-butyl-(4-hydroxybutyl)amine N-Nitrosobutylbutanolamine n-Butyl-(4-hydroxybutyl)nitrosamine
Reaxys-RN	2080574
PubChem Substance ID	19665
Chemical Name Translation	N-丁基-N-(4-羟丁基)亚硝胺
Wiswesser Line Notation	Q4N4&NO
Beilstein Registry Number	2080574
InChIKey	DIKPQFXYECAYPC-UHFFFAOYSA-N
LabNetwork Molecule ID	LN01740381
InChI	InChI=1S/C8H18N2O2/c1-2-3-6-10(9-12)7-4-5-8-11/h11H,2-8H2,1H3

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安全信息

GHS Symbol

WGK Germany3

Precautionary statements

P308+P313
P201 Obtain special instructions before use. 使用前获取专门指示。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P501 Dispose of contents/container to..… 处理内容物/容器.....
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P405 Store locked up. 上锁保管。
P301+P312+P330
P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。

Hazard statements

H350 May cause cancer 可能致癌
H302 Harmful if swallowed 吞食有害

RTECSEL1225000

Signal word Danger

Safety Statements

S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；

Hazard Codes T

Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Risk Statements

R45 May cause cancer 可能致癌
R22 Harmful if swallowed 吞咽有害

Storage condition 0-10 0-10°C

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
REFERENCE :
   CDPRD4 Cancer Detection and Prevention.  (Alan R. Liss, Inc., 41 E. 11th
   St., New York, NY 10003) V.1-    1976-  Volume(issue)/page/year: 4,79,1981

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
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   41,1958,1981

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
REFERENCE :
   ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie.  (Be

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
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 2,251,1981

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
REFERENCE :
   XENOBH Xenobiotica.  (Taylor & Francis Ltd., 4 John St., London WC1N 2ET,
   UK)  V.1-    1971-  Volume(issue)/page/year: 3,271,1973

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
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue)/page/year:
   1,15,1975

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 1500 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 93,409,1982

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - rat Cells - not otherwise specified
DOSE/DURATION           : 1500 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 93,409,1982

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 250 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam,

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Fibroblast
DOSE/DURATION           : 1200 mg/L/48H
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 48,337,1977

TYPE OF TEST            : Morphological transformation
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 700 mg/kg
REFERENCE :
   JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB
   211, 1000 AE Amsterdam, Netherlands)  V.76-    1985-
   Volume(issue)/page/year: 78,473,1987

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 umol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 140,147,1984

TYPE OF TES