3-Methylcyclohexanone Structure

3-Methylcyclohexanone

Chemical Properties

Melting point -73 °C
alpha  [α]D20 0.0±0.5゜ (neat)
Boiling point 169-170 °C (lit.)
Density  0.914 g/mL at 25 °C (lit.)
FEMA  3947 | 3-METHYLCYCLOHEXANONE
refractive index  n20/D 1.446(lit.)
FLAVIS Number 07.180 | 3-Methylcyclohexanone
Flash point 125 °F
storage temp.  Flammables area
form  Liquid
color  Clear colorless to very slightly yellow
Odor at 10.00 % in dipropylene glycol. minty camphor medicinal
Odor Type camphoreous
biological source synthetic
Water Solubility  1.498g/L(20 ºC)
JECFA Number 1103
BRN  969804
Henry's Law Constant 6.7×10-2 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Exposure limits TLV-TWA: 20 ppm
Dielectric constant 12.4
InChI 1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3
InChIKey UJBOOUHRTQVGRU-UHFFFAOYSA-N
SMILES CC1CCCC(=O)C1
LogP 1.25
CAS DataBase Reference 591-24-2(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 3-METHYLCYCLOHEXANONE
FDA UNII 255L4HTY2B
EPA Substance Registry System Cyclohexanone, 3-methyl- (591-24-2)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)
Signal wordWarning
Hazard statements H315-H319-H335-H336-H226
Precautionary statements P501-P261-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P304+P340+P312-P403+P233-P403+P235-P405
Hazard Codes  Xn
Risk Statements  10
Safety Statements  36/37-23-16
RIDADR  UN 2297 3/PG 3
WGK Germany  1
RTECS  GW1750100
TSCA  TSCA listed
HazardClass  3.2
PackingGroup  III
HS Code  29142200
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3
NFPA 704:
2
0

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3-Methylcyclohexanone Chemical Properties,Usage,Production

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