4312-99-6

Name 1-Octen-3-one
CAS 4312-99-6
EINECS(EC#) 224-327-5
Molecular Formula C8H14O
MDL Number MFCD00036558
Molecular Weight 126.2
MOL File 4312-99-6.mol
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Chemical Properties

Boiling point  174-182 °C
density  0.843 g/mL at 25 °C
FEMA  3515
refractive index  n20/D 1.4359
Fp  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
biological source synthetic
Odor Type earthy
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 4312-99-6(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H317
Precautionary statements  P261-P264-P270-P280-P301+P312-P302+P352
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
RIDADR  UN 2810 6.1/PG 3
WGK Germany  3
TSCA  Yes
HazardClass  3
PackingGroup  III
HS Code  29142990
Storage Class 10 - Combustible liquids

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