Introduction:Basic information about CAS 7068-83-9|N-Butyl-N-methylnitrosamine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | N-Butyl-N-methylnitrosamine |
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| CAS Number | 7068-83-9 | Molecular Weight | 116.16200 |
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| Density | 0.93 g/mL(lit.) | Boiling Point | 193.6ºC at 760 mmHg |
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| Molecular Formula | C5H12N2O | Melting Point | / |
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| MSDS | / | Flash Point | 70.9ºC |
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Names
| Name | methylbutylnitrosamine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.93 g/mL(lit.) |
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| Boiling Point | 193.6ºC at 760 mmHg |
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| Molecular Formula | C5H12N2O |
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| Molecular Weight | 116.16200 |
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| Flash Point | 70.9ºC |
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| Exact Mass | 116.09500 |
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| PSA | 32.67000 |
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| LogP | 1.39970 |
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| Index of Refraction | 1.447 |
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| InChIKey | PKTSCJXWLVREKX-UHFFFAOYSA-N |
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| SMILES | CCCCN(C)N=O |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EO5425000
- CHEMICAL NAME :
- Butylamine, N-methyl-N-nitroso-
- CAS REGISTRY NUMBER :
- 7068-83-9
- BEILSTEIN REFERENCE NO. :
- 1701369
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 25
- MOLECULAR FORMULA :
- C5-H12-N2-O
- MOLECULAR WEIGHT :
- 116.19
- WISWESSER LINE NOTATION :
- ONN4&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 130 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 90 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 :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 120 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - other changes Liver - other changes
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 90 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 :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 25 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 - mouse
- DOSE/DURATION :
- 10 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 128 mg/kg/20W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 31 mg/kg/30W-1
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 150 mg/kg/30W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 182 mg/kg/1Y-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Gastrointestinal - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 90 mg/kg/50W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Gastrointestinal - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - hamster
- DOSE/DURATION :
- 604 mg/kg/23W-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Liver - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 69 mg/kg/23W
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 100 mg/kg/24W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 69 mg/kg/23W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 160 mg/kg/20W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Gastrointestinal - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 160 mg/kg/20W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors Blood - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 128 mg/kg/20W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
MUTATION DATA - TYPE OF TEST :
- Phage inhibition capacity
- TEST SYSTEM :
- Bacteria - Escherichia coli
- DOSE/DURATION :
- 100 mg/L
- REFERENCE :
- TCMUE9 Topics in Chemical Mutagenesis. (Plenum Pub. Corp., 233 Spring Street, New York, NY 10013) V.1- 1984- Volume(issue)/page/year: 1,91,1984
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Safety Information
| Hazard Codes | T+ |
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| Risk Phrases | 45-46-26/27/28 |
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| Safety Phrases | 53-23-36/37/39-45 |
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| RIDADR | UN 2810 6.1/PG 2 |
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| WGK Germany | 3 |
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| RTECS | EO5425000 |
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Synonyms
| Methyl-butyl-nitrosamin |
| methyl-n-butylnitrosamine |
| N-nitroso-N-methylbutylamine |
| nitrosomethyl-n-butylamine |
| Butyl-methyl-nitroso-amin |
| butyl-methyl-nitroso-amine |
| N-butyl-N-methyl-nitrosamine |
| NITROSOMETHYLBUTYLAMINE |
| mbna |
| butylmethylnitrosamine |
| N-Methyl-N-butylnitrosamine |
| N-butyl-N-methylnitrous amide |
| N-NITROSO-METHYLBUTYLAMINE |
| N-NITROSOBUTYLMETHYLAMINE |