isophorone

Full Material List

3,5,5-trimethylcyclohex-2-en-1-one

Identifiers

CAS (Single)	78-59-1
FEMA	3553
EINECS	201-126-0
Synonyms	iso acetophorone cyclohex-2-en-1-one, 3,5,5-trimethyl- 2- cyclohexen-1-one, 3,5, 5-trimethyl- 2- cyclohexen-1-one, 3,5,5-trimethyl- iso foron iso octopherone a-iso phoron iso phorone 3,5,5- trimethyl cyclohex-2-en-1-one 3,5,5- trimethyl cyclohex-2-enone 3,3,5- trimethyl cyclohex-5-en-1-one 1,5,5- trimethyl-1-cyclohexen-3-one 3,5,5- trimethyl-2-cyclohexen-1-one 3,3,5- trimethyl-2-cyclohexene-1-one 3,5,5- trimethyl-2-cyclohexenone 1,1,3- trimethyl-3-cyclohexene-5-one 3,3,5- trimethyl-5-cyclohexen-1-one 3,3,5- trimethyl-cyclohex-5-en-1-one 3,5,5- trimethylcyclohex-2-en-1-one 3,5,5- trimethylcyclohex-2-enone 3,3,5- trimethylcyclohex-5-en-1-one 3,5,5- trimetil-2-cicloesen-1-one
JECFA Food Flavoring	1112
JECFA Food Additive	N/A
DG SANTE Food Flavourings	07.126 3,5,5-trimethylcyclohex-2-en-1-one
DG SANTE Food Contact Materials	N/A
FDA UNII	2BR99VR6WA
CoE Number	11918
XlogP3-AA	N/A
Molecular Weight	138.20978
Molecular Formula	C9 H14 O

Properties

Food Chemicals Codex Listed	No
Appearance	colorless to pale yellow clear liquid (est)
Assay	97.00 to 100.00
Specific Gravity	0.91900 to 0.92700 @ 25.00 °C.
Lbs/Gal (est)	7.647 to 7.714
Refractive Index	1.47400 to 1.48100 @ 20.00 Â°C.
Melting Point	-8.00 Â°C. @ 760.00 mm Hg
Boiling Point	213.00 to 215.00 Â°C. @ 760.00 mm Hg
Flash Point	184.00 Â°F. TCC ( 84.44 Â°C. )
Acid Value	N/A
Vapor Pressure	0.150000 mmHg @ 25.00 Â°C. (est)
Vapor Density	4.7 ( Air = 1 )
logP (o/w)	1.7
Soluble In	alcohol water, 3010 mg/L @ 25 °C (est) water, 1.20E+04 mg/L @ 25 °C (exp)
Occurrence	artemisia diffusa krasch. ex poljak oil iran @ 0.80% cabbage cranberry fruit cymbopogon citratus (dc.) stapf. oil cuba @ <0.10% filbert roasted filbert grapefruit juice kohlrabi stem labdanum oil @ 0.35% macadamia nut mushroom mustard white mustard osmanthus papaya fruit patchouli oil china @ 0.03% pea plum fruit plumcot fruit saffron stigma tobacco burley tobacco wine

Organoleptic

Organoleptic Notes	1. Odor Type: woody cooling woody sweet green camphoreous fruity musty cedarwood tobacco leathery Odor Description:at 0.10 % in propylene glycol. cooling woody sweet green camphor fruity musty cedarwood tobacco leather cooling woody sweet green camphoreous fruity musty Odor Description:Cooling, woody, sweet, green, camphoreous, fruity and mustyMosciano, Gerard P&F 18, No. 5, 39, (1993)
Odor	woody cooling, woody, sweet, green, camphoreous, fruity, musty, cedarwood, tobacco, leathery
Flavor	green sweet, green, waxy, woody, cooling, pulpy, citrus,

AInsights BETA

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FlavScents AInsights integrates information from authoritative government, scientific, academic, and industry sources to provide applied, exposure-aware insight into flavor and fragrance materials. Data are drawn from regulatory bodies, expert safety panels, peer-reviewed literature, public chemical databases, and long-standing professional practice within the flavor and fragrance community. Where explicit published values exist, they are reported directly; where gaps remain, AInsights reflects widely accepted industry-typical practice derived from convergent sensory behavior, historical commercial use, regulatory non-objection, and expert consensus. All such information is clearly labeled to distinguish documented data from professional guidance or informed estimation, with the goal of offering transparent, practical, and scientifically responsible context for researchers, formulators, and regulatory specialists. This section is generated using advanced computational language modeling to synthesize and structure information from established scientific and regulatory knowledge bases, with the intent of supporting—not replacing—expert review and judgment.

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