3-METHYLCYCLOHEXANONE
Synonym(s):Tetrahydro-m-cresol
- CAS NO.:591-24-2
- Empirical Formula: C7H12O
- Molecular Weight: 112.17
- MDL number: MFCD00001639
- EINECS: 209-710-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-11-28 16:31:44
What is 3-METHYLCYCLOHEXANONE?
Chemical properties
CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID
Chemical properties
3-Methylcyclohexanone has an acetone-like odor.
Occurrence
Reported found in the plant Mentha pulegium L. (European pennyroyal), peppermint oil, cornmint oil, penny royal oil, buchu oil and heater beef fat
The Uses of 3-METHYLCYCLOHEXANONE
3-Methylcyclohexanone is used as a fragrant and flavouring agent.
Aroma threshold values
Aroma characteristics at 1.0%: minty cooling, clean and impacting with a slight medicinal solvent nuance.
Taste threshold values
Taste characteristics at 15 ppm: minty, sweet, lifting cooling with a slight ethereal solvent-like impact; fresh and slightly medicinal
Synthesis Reference(s)
The Journal of Organic Chemistry, 47, p. 2790, 1982 DOI: 10.1021/jo00135a024
Tetrahedron Letters, 25, p. 5911, 1984 DOI: 10.1016/S0040-4039(01)81718-4
Properties of 3-METHYLCYCLOHEXANONE
Melting point: | -73 °C |
Boiling point: | 169-170 °C (lit.) |
alpha | [α]D20 0.0±0.5゜ (neat) |
Density | 0.914 g/mL at 25 °C (lit.) |
refractive index | n |
FEMA | 3947 | 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 |
Water Solubility | 1.498g/L(20 ºC) |
JECFA Number | 1103 |
BRN | 969804 |
Dielectric constant | 12.4 |
CAS DataBase Reference | 591-24-2(CAS DataBase Reference) |
EPA Substance Registry System | Cyclohexanone, 3-methyl- (591-24-2) |
Safety information for 3-METHYLCYCLOHEXANONE
Signal word | Warning |
Pictogram(s) |
Flame Flammables GHS02 |
GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H336:Specific target organ toxicity,single exposure; Narcotic effects |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P370+P378:In case of fire: Use … for extinction. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P403+P235:Store in a well-ventilated place. Keep cool. |
Computed Descriptors for 3-METHYLCYCLOHEXANONE
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