3-Octanone

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Names

[ CAS No. ]:
106-68-3

[ Name ]:
3-Octanone

[Synonym ]:
EINECS 203-423-0
Ethyl amyl ketone
octane-3-one
3-n-octanone
Ethyl n-amyl ketone
octan-3-one
n-Octanone-3
Ethyl amyl ketone,Ethyl pentyl ketone
3-Oxooctane
MFCD00009515
3-Octanone
ethyl n-pentyl ketone
Amyl Ethyl Ketone
Ethyl pentyl ketone

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
169.9±3.0 °C at 760 mmHg

[ Melting Point ]:
-23 °C

[ Molecular Formula ]:
C8H16O

[ Molecular Weight ]:
128.212

[ Flash Point ]:
46.1±0.0 °C

[ Exact Mass ]:
128.120117

[ PSA ]:
17.07000

[ LogP ]:
2.50

[ Vapour Pressure ]:
1.5±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.411

[ Water Solubility ]:
0.7 g/L

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RH1485000
CHEMICAL NAME :
3-Octanone
CAS REGISTRY NUMBER :
106-68-3
BEILSTEIN REFERENCE NO. :
1700021
LAST UPDATED :
199710
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C8-H16-O
MOLECULAR WEIGHT :
128.24
WISWESSER LINE NOTATION :
5V2

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: 12,715,1974 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
406 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,5,1961 *** U.S. STANDARDS AND REGULATIONS *** OSHA PEL (Shipyard):8H TWA 25 ppm (130 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3673 No. of Facilities: 322 (estimated) No. of Industries: 3 No. of Occupations: 7 No. of Employees: 4673 (estimated) No. of Female Employees: 730 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H226-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R10;R36

[ Safety Phrases ]:
S26-S36-S39-S16

[ RIDADR ]:
UN 2271 3/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
RH1485000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
2914190090

Synthetic Route

Precursor & DownStream

Precursor

  • 3-Octyl alcohol
  • Oct-1-en-3-ol
  • 2-Octyne
  • 2-Octene
  • 2-ethyl-2-pentyl-1,3-dioxolane
  • Formaldehyde
  • Morpholine, 4-(1-oxohexyl)- (9CI)
  • Ethyllithium
  • Octane
  • E-2-Octene

DownStream

  • N-[(E)-3-nitrosooct-2-en-2-yl]hydroxylamine
  • Carbon dioxide
  • Butyric Acid
  • Pentanoic acid
  • 2-ethyl-2-pentyl-1,3-dioxolane
  • 3-Octyl alcohol
  • 2,3-Octadiene
  • 1-Hexanoic acid
  • 2,3 OCTANEDIONE
  • octane-3,4-dione

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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Related Compounds

  • 3-octanone oxime
  • 3-Octanone,4-bromo
  • 2-nitro-3-octanone
  • 2-nitro-3-octanone
  • 7-Methyl-3-octanone
  • 3-Octanone,2-phenyl