CAS 112-12-9|Methyl nonyl ketone

Introduction:Basic information about CAS 112-12-9|Methyl nonyl ketone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameMethyl nonyl ketone
CAS Number112-12-9Molecular Weight170.292
Density0.8±0.1 g/cm3Boiling Point230.8±3.0 °C at 760 mmHg
Molecular FormulaC11H22OMelting Point11-13 °C(lit.)
MSDSChineseUSAFlash Point88.9±0.0 °C
Symbol
GHS09
Signal WordWarning

Names

Nameundecan-2-one
SynonymMore Synonyms

Methyl nonyl ketone BiologicalActivity

Description2-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 CatalogResearch 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

Density0.8±0.1 g/cm3
Boiling Point230.8±3.0 °C at 760 mmHg
Melting Point11-13 °C(lit.)
Molecular FormulaC11H22O
Molecular Weight170.292
Flash Point88.9±0.0 °C
Exact Mass170.167068
PSA17.07000
LogP4.09
Vapour density5.9 (vs air)
Vapour Pressure0.1±0.4 mmHg at 25°C
Index of Refraction1.425
InChIKeyKYWIYKKSMDLRDC-UHFFFAOYSA-N
SMILESCCCCCCCCCC(C)=O
StabilityStable. Combustible. Incompatible with strong oxidizing agents, strong bases.
Water SolubilityINSOLUBLE

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YQ2820000
CHEMICAL NAME :
2-Undecanone
CAS REGISTRY NUMBER :
112-12-9
BEILSTEIN REFERENCE NO. :
1749573
LAST UPDATED :
199712
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C11-H22-O
MOLECULAR WEIGHT :
170.33
WISWESSER LINE NOTATION :
9V1

HEALTH HAZARD DATA

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 WordWarning
Hazard StatementsH410
Precautionary StatementsP273-P501
Personal Protective EquipmentEyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)
Hazard CodesN:Dangerousfortheenvironment;
Risk PhrasesR51/53
Safety PhrasesS23-S24/25-S61
RIDADRUN3082
WGK Germany2
RTECSYQ2820000
Packaging GroupIII
Hazard Class9
HS Code2914190090

Customs

HS Code2914190090
Summary2914190090 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
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