CAS 112-12-9|Methyl nonyl ketone
| Common Name | Methyl nonyl ketone | ||
|---|---|---|---|
| CAS Number | 112-12-9 | Molecular Weight | 170.292 |
| Density | 0.8±0.1 g/cm3 | Boiling Point | 230.8±3.0 °C at 760 mmHg |
| Molecular Formula | C11H22O | Melting Point | 11-13 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 88.9±0.0 °C |
| Symbol | GHS09 | Signal Word | Warning |
Names
| Name | undecan-2-one |
|---|---|
| Synonym | More Synonyms |
Methyl nonyl ketone BiologicalActivity
| Description | 2-Undecanone is a volatile organic compound, which inhibits the DnaKJE-ClpB bichaperone dependent refolding of heat-inactivated bacterial luciferases. 2-Undecanone inhibits lung tumorigenesis[1][2]. |
|---|---|
| Related Catalog | Research Areas >>CancerResearch Areas >>InfectionSignaling Pathways >>Others >>Others |
| References | [1]. Melkina OE, et al. Ketones 2-heptanone, 2-nonanone, and 2-undecanone inhibit DnaK-dependent refolding of heat-inactivated bacterial luciferases in Escherichia coli cells lacking small chaperon IbpB. Appl Microbiol Biotechnol. 2017 Jul;101(14):5765-5771. [2]. Lou Y, et al. Houttuynia cordata Thunb. and its bioactive compound 2-undecanone significantly suppress benzo(a)pyrene-induced lung tumorigenesis by activating the Nrf2-HO-1/NQO-1 signaling pathway. J Exp Clin Cancer Res. 2019 Jun 7;38(1):242. |
Chemical & Physical Properties
| Density | 0.8±0.1 g/cm3 |
|---|---|
| Boiling Point | 230.8±3.0 °C at 760 mmHg |
| Melting Point | 11-13 °C(lit.) |
| Molecular Formula | C11H22O |
| Molecular Weight | 170.292 |
| Flash Point | 88.9±0.0 °C |
| Exact Mass | 170.167068 |
| PSA | 17.07000 |
| LogP | 4.09 |
| Vapour density | 5.9 (vs air) |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.425 |
| InChIKey | KYWIYKKSMDLRDC-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCC(C)=O |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
| Water Solubility | INSOLUBLE |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FMCHA2 Farm Chemicals Handbook. (Meister Pub., 37841 Euclid Ave., Willoughy, OH 44094) Volume(issue)/page/year: -,C201,1991
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3880 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- APJUA8 Acta Pharmaceutica Jugoslavica. (FDH, Masarykova 2, 41000 Zagreb, Yugoslavia) V.1-41, 1951-1991. Volume(issue)/page/year: 12,79,1962
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,869,1975 ** 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 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5184 No. of Facilities: 669 (estimated) No. of Industries: 6 No. of Occupations: 12 No. of Employees: 9071 (estimated) No. of Female Employees: 6864 (estimated)
Safety Information
| Symbol | GHS09 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H410 |
| Precautionary Statements | P273-P501 |
| Personal Protective Equipment | Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US) |
| Hazard Codes | N:Dangerousfortheenvironment; |
| Risk Phrases | R51/53 |
| Safety Phrases | S23-S24/25-S61 |
| RIDADR | UN3082 |
| WGK Germany | 2 |
| RTECS | YQ2820000 |
| Packaging Group | III |
| Hazard Class | 9 |
| HS Code | 2914190090 |
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
| UNII-YV5DSO8CY9 |
| Methyl-nonyl-keton-<2.4-dinitro-phenylhydrazon> |
| Methyl-n-nonylketone |
| undecan-2-one |
| EINECS 203-937-5 |
| 2-Oxoundecane |
| 2-hendecanone |
| nonyl methyl ketone |
| 10-undecanal |
| Methyl-n-nonylketon-2,4-DNPH |
| Undecan-2-on-<2.4-dinitro-phenylhydrazon> |
| 2-Undecanon-2,4-dinitrophenylhydrazon |
| MFCD00009583 |
| Methyl nonyl ketone |
| Methyl n-nonyl ketone |
| 2-Undecanone |
