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1-Octen-3-one Structure

1-Octen-3-one

  • Product Name1-Octen-3-one
  • CAS4312-99-6
  • CBNumberCB8393263
  • MFC8H14O
  • MW126.2
  • EINECS224-327-5
  • MDL NumberMFCD00036558
  • MOL File4312-99-6.mol

Chemical Properties

Boiling point: 174-182 °C
Density  0.833 g/mL at 25 °C
refractive index  n20/D 1.4359
FEMA  3515 | 1-OCTEN-3-ONE
Flash point: 145 °F
storage temp.  2-8°C
solubility  Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
form  Oil
color  Colourless
Odor at 1.00 % in dipropylene glycol. herbal mushroom earthy musty dirty
Odor Type earthy
biological source synthetic
JECFA Number 1148
BRN  1700905
Stability: Light Sensitive
InChI 1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3
InChIKey KLTVSWGXIAYTHO-UHFFFAOYSA-N
SMILES CCCCCC(=O)C=C
LogP 2.17
CAS DataBase Reference 4312-99-6(CAS DataBase Reference)
NIST Chemistry Reference 1-Octen-3-one(4312-99-6)
EPA Substance Registry System 1-Octen-3-one (4312-99-6)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H302-H315-H317
Precautionary statements  P261-P264-P270-P280-P301+P312-P302+P352
Hazard Codes  Xn
Risk Statements  22-36/37/38-52/53-36/38
Safety Statements  26-36-61
RIDADR  UN 2810 6.1/PG 3
WGK Germany  3
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  29142990
Storage Class 10 - Combustible liquids
Limited Quantities 5.0 L (1.3 gallons) (liquid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
NFPA 704:
2
2 0

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