CAS 109-75-1|3-Butenenitrile
Introduction：Basic information about CAS 109-75-1|3-Butenenitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Butenenitrile | ||
|---|---|---|---|
| CAS Number | 109-75-1 | Molecular Weight | 67.089 |
| Density | 0.834 | Boiling Point | 116-121 ºC |
| Molecular Formula | C4H5N | Melting Point | -87°C |
| MSDS | ChineseUSA | Flash Point | 23.9±0.0 °C |
| Symbol | GHS02, GHS06 | Signal Word | Danger |
Names
| Name | 3-Butenenitrile |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 0.834 |
|---|---|
| Boiling Point | 116-121 ºC |
| Melting Point | -87°C |
| Molecular Formula | C4H5N |
| Molecular Weight | 67.089 |
| Flash Point | 23.9±0.0 °C |
| Exact Mass | 67.042198 |
| PSA | 23.79000 |
| LogP | 0.40 |
| Vapour Pressure | 16.3±0.2 mmHg at 25°C |
| Index of Refraction | 1.402 |
| InChIKey | SJNALLRHIVGIBI-UHFFFAOYSA-N |
| SMILES | C=CCC#N |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Open irritation test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,900,1986
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,900,1986 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 115 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 30,470,1969
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 500 ppm/4H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 30,470,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 150 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,18,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1410 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 30,470,1969
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 2500 mg/m3/4H
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 34(4),36,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 132 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Behavioral - muscle contraction or spasticity Gastrointestinal - nausea or vomiting
- REFERENCE :
- MELAAD Medicina del Lavoro. Industrial Medicine. (Via S. Barnaba, 8, 20122 Milan, Italy) V.16- 1925- Volume(issue)/page/year: 47,192,1956 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 134 mg/m3/2H/8W-I
- TOXIC EFFECTS :
- Endocrine - changes in thyroid weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 34(4),36,1989
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 134 mg/m3/2H/8W-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in bladder weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 34(4),36,1989 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- DOSE :
- 50 ppm/6H
- SEX/DURATION :
- female 6-20 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 20,365,1993
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- DOSE :
- 50 ppm/6H
- SEX/DURATION :
- female 6-20 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 20,365,1993 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.3 mg/m3;Skin JAN 1993
Safety Information
| Symbol | GHS02, GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H226-H301 + H331-H312-H315-H319 |
| Precautionary Statements | P261-P280-P301 + P310-P305 + P351 + P338-P311 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | T:Toxic; |
| Risk Phrases | R10;R21;R23/25;R36/38 |
| Safety Phrases | S26-S36/37/39-S45 |
| RIDADR | UN 1992 3/PG 3 |
| WGK Germany | 3 |
| RTECS | EM8050000 |
| Packaging Group | III |
| Hazard Class | 3 |
| HS Code | 2926909090 |
Customs
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| Vinylacetonitrile |
| 3-Butenenitrile |
| but-3-enenitrile |
| Allyl Cyanide |
| EINECS 203-701-1 |
| MFCD00001962 |
