ketoisophorone

Full Material List

2,6,6-trimethylcyclohex-2-ene-1,4-dione

Identifiers

CAS (Single)	1125-21-9
FEMA	3421
EINECS	214-406-2
Synonyms	cetotabac cyclohex-2-ene-1,4-dione, 2,6,6-trimethyl- 2- cyclohexene-1,4-dione, 2,6,6-trimethyl- oxo pholone 4-ketoiso phorone 4-oxo-alpha-iso phorone 4-oxoiso phorone 6-oxoiso phorone keto-iso phorone ketoiso phorone oxoiso phorone ketoiso phorone pure 2,6,6- trimethyl cyclohex-2-ene-1,4-dione 2,2,6- trimethyl cyclohex-5-en-1,4-dione 2,6,6- trimethyl-2-cyclohexene-1,4-dione 3,5,5- trimethyl-2-cyclohexene-1,4-dione 2,2,6- trimethyl-5-cyclohexen-1,4-dione 2,6,6- trimethyl-cyclohex-2-ene-1,4-dione 3,5,5- trimethyl-cyclohex-2-ene-1,4-dione 2,2,6- trimethyl-cyclohex-5-en-1,4-dione 2,6,6- trimethylcyclohex-2-ene-1,4-dione 2,2,6- trimethylcyclohex-5-en-1,4-dione
JECFA Food Flavoring	1857
JECFA Food Additive	N/A
DG SANTE Food Flavourings	07.109 2,6,6-trimethylcyclohex-2-ene-1,4-dione
DG SANTE Food Contact Materials	N/A
FDA UNII	72WY3KLB5R
CoE Number	11200
XlogP3-AA	N/A
Molecular Weight	152.19304
Molecular Formula	C9 H12 O2

Properties

Food Chemicals Codex Listed	No
Appearance	white to yellowish tan green solid or liquid (est)
Assay	98.00 to 100.00
Specific Gravity	0.91800 @ 25.00 °C.
Lbs/Gal (est)	N/A
Refractive Index	1.49100 @ 20.00 Â°C.
Melting Point	23.00 to 28.00 Â°C. @ 760.00 mm Hg
Boiling Point	222.00 Â°C. @ 760.00 mm Hg
Flash Point	205.00 Â°F. TCC ( 96.11 Â°C. )
Acid Value	N/A
Vapor Pressure	0.158000 mmHg @ 25.00 Â°C. (est)
Vapor Density	N/A
logP (o/w)	0.994 (est)
Soluble In	alcohol water, slightly water, 1839 mg/L @ 25 °C (est)
Occurrence	champaca concrete @ 0.05% clover yellow sweet clover roasted honey - up to 8 mg/kg lemon balm lettuce lamb's lettuce saffron saffron shrimp cooked shrimp tea - up to 9 mg/kg tea black tea tea green tea tea rooibos tea tobacco smoke

Organoleptic

Organoleptic Notes	1. Odor Type: musty musty woody sweet tea tobacco leafy Odor Description:at 1.00 % in dipropylene glycol. musty woody sweet tea tobacco leaf musty woody sweet tea citrus lemon brown Odor Description:Musty, woody, sweet, tea, citrus lemon with sI. brown nuancesMosciano, Gerard P&F 15, No. 4, 59, (1990)
Odor	musty musty, woody, sweet, tea, tobacco, leafy, citrus, lemon, brown
Flavor	citrus citrus, floral, musty, tea, green, sweet, fruity,

AInsights BETA

About FlavScents AInsights (Disclosure)
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.

Generated GMT (p)

Suppliers

Vigon International

KETOISOPHORONE PURE • 501364

Go To Supplier