2-Octanone

Suppliers

Names

[ CAS No. ]:
111-13-7

[ Name ]:
2-Octanone

[Synonym ]:
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

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

[ Stability ]:
Stable. Incompatible with strong oxidizing agents. Flammable.

[ Water Solubility ]:
0.9 g/L

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RH1484000

CHEMICAL NAME :: 2-Octanone

CAS REGISTRY NUMBER :: 111-13-7

BEILSTEIN REFERENCE NO. :: 0635843

LAST UPDATED :: 199710

DATA ITEMS CITED :: 14

MOLECULAR FORMULA :: C8-H16-O

MOLECULAR WEIGHT :: 128.24

WISWESSER LINE NOTATION :: 6V1

HEALTH HAZARD DATA

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-Octanol
Oct-1-yne
6-Dodecyne
ch3cho
octene
4-methyl-N-(octan-2-ylideneamino)benzenesulfonamide
2-Octanone, oxime
2-Octyne
1-Methylheptyl(trimethylsilyl) ether

DownStream

Methyl heptanoate
2,2-dimethoxyoctan-3-ol
(4-methoxyphenyl)methyl 3-oxononanoate
6-fluoro-6-methylheptan-2-one
7-Hexadecanone
2-bromo-2-chloro-1,1,1-trifluoro-3-methylnonan-3-ol
f 133a
5,5'-Dibromo-4,4'-dihexyl-2,2'-bi-1,3-thiazole
2-Methyl-1-octene

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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