4-Methylcyclohexanone Structure

4-Methylcyclohexanone

Chemical Properties

Melting point -41 °C
Boiling point 169-171 °C (lit.)
Density  0.914 g/mL at 25 °C (lit.)
vapor pressure  20 hPa (65 °C)
refractive index  n20/D 1.4443(lit.)
FEMA  3948 | 4-METHYLCYCLOHEXANONE
Flash point 105 °F
storage temp.  Store below +30°C.
form  Liquid
color  Clear colorless to slightly yellow
Odor at 10.00 % in propylene glycol. musty animal
Odor Type animal
biological source synthetic
Viscosity 1.94mm2/s
Water Solubility  Not miscible in water.
JECFA Number 1104
BRN  506746
Dielectric constant 12.4
Exposure limits TLV-TWA: 20 ppm
Major Application flavors and fragrances
InChI 1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
InChIKey VGVHNLRUAMRIEW-UHFFFAOYSA-N
SMILES CC1CCC(=O)CC1
LogP 1.33 at 20℃
Substances Added to Food (formerly EAFUS) 4-METHYLCYCLOHEXANONE
CAS DataBase Reference 589-92-4(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 0L1R78K79S
NIST Chemistry Reference Cyclohexanone, 4-methyl-(589-92-4)
EPA Substance Registry System Cyclohexanone, 4-methyl- (589-92-4)
UNSPSC Code 12352115
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H226-H302
Precautionary statements P210-P301+P312+P330
Hazard Codes  Xn,Xi
Risk Statements  10-22-20/21/22-2017/10/22
Safety Statements  16-36-36/37-23
RIDADR  UN 2297 3/PG 3
WGK Germany  1
RTECS  GW1750200
Hazard Note  Irritant
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  29142200
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Oral
Flam. Liq. 3
Toxicity LD50 orally in Rabbit: 800 mg/kg
NFPA 704:
2
0

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