CAS 111-13-7|2-Octanone
| Common Name | 2-Octanone | ||
|---|---|---|---|
| CAS Number | 111-13-7 | Molecular Weight | 128.212 |
| Density | 0.8±0.1 g/cm3 | Boiling Point | 173.1±3.0 °C at 760 mmHg |
| Molecular Formula | C8H16O | Melting Point | -16 °C |
| MSDS | ChineseUSA | Flash Point | 62.8±0.0 °C |
| Symbol | GHS02, GHS07 | Signal Word | Warning |
Names
| Name | 2-octanone |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 0.8±0.1 g/cm3 |
|---|---|
| Boiling Point | 173.1±3.0 °C at 760 mmHg |
| Melting Point | -16 °C |
| Molecular Formula | C8H16O |
| Molecular Weight | 128.212 |
| Flash Point | 62.8±0.0 °C |
| Exact Mass | 128.120117 |
| PSA | 17.07000 |
| LogP | 2.50 |
| Vapour Pressure | 1.7±0.3 mmHg at 25°C |
| Index of Refraction | 1.411 |
| InChIKey | ZPVFWPFBNIEHGJ-UHFFFAOYSA-N |
| SMILES | CCCCCCC(C)=O |
| Stability | Stable. Incompatible with strong oxidizing agents. Flammable. |
| Water Solubility | 0.9 g/L |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,861,1975 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3089 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: #901875
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >2132 ppm/6H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: #901875
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4765,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3824 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 30,13,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4765,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 19,1257,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1337 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: #901875 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 1 gm/kg
- SEX/DURATION :
- female 1-20 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,1024,1975 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 200 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5067 No. of Facilities: 1222 (estimated) No. of Industries: 11 No. of Occupations: 38 No. of Employees: 18681 (estimated) No. of Female Employees: 6443 (estimated)
Safety Information
| Symbol | GHS02, GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H226-H312 |
| Precautionary Statements | P280 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R10;R21 |
| Safety Phrases | S36/37-S16 |
| RIDADR | UN 1224 3/PG 3 |
| WGK Germany | 1 |
| RTECS | RH1484000 |
| Packaging Group | I; II; III |
| Hazard Class | 3.0 |
| HS Code | 29141990 |
Customs
| HS Code | 2914190090 |
|---|---|
| Summary | 2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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Synonyms
| methoxyhexane |
| Methyl hexyl ether |
| 2-Oxooctane |
| Ether,hexyl methyl |
| methyl n-hexyl ketone |
| n-Hexyl Methyl Ether |
| n-Hexyl methyl ketone |
| EINECS 203-837-1 |
| UNII-J2G84H29AF |
| 1-methoxy-hexane |
| 2-Octanone |
| methyl hexyl ketone |
| hexylmethyl ether |
| octane 2-oxide |
| octan-2-one |
| MFCD00009540 |
| Hexyl methyl ketone |
| Hexane,1-methoxy |
| Methyl-n-Hexyl ether |
