beta-isomethyl ionone

beta-isomethylionone

CAS: 79-89-0 C14 H22 O MW: 206.32854000 floral

Identification

Name	beta-isomethyl ionone
IUPAC	(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one
CAS Number	79-89-0
EINECS	201-231-1
FDA UNII	MA3RM4FRWI
Molecular Formula	C14 H22 O
Molecular Weight	206.32854000
MDL Number	MFCD00086168
CoE Number	650

Regulatory

JECFA Food Flavoring	2186 beta-isomethylionone
DG SANTE Food Flavourings	07.041 beta-isomethyl ionone
FEMA Number	4151
FDA	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)	79-89-0 ; BETA-ISOMETHYLIONONE

Physical Properties

Assay	95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed	No
Melting Point	62.00 °C. @ 760.00 mm Hg
Boiling Point	301.28 °C. @ 760.00 mm Hg (est)
Vapor Pressure	0.001000 mmHg @ 25.00 °C. (est)
Flash Point	> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w)	4.008 (est)
Soluble in	alcohol
Stability	bath foam

Cosmetic Information

CosIng	cosmetic data
Cosmetic Uses	perfuming agents

Organoleptic Properties

Odor Description	at 10.00 % in dipropylene glycol.
Odor sample from	Harrmann & Reimer Corporation

Safety Information

Oral/Parenteral Toxicity	oral-rat LD50 > 5000 mg/kg
Dermal Toxicity	skin-rabbit LD50 > 5000 mg/kg
Inhalation Toxicity	Not determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Category	flavor and fragrance agents
RIFM Fragrance Material Safety Assessment	Search
IFRA Critical Effect	Dermal sensitization
IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%)	Category 1: Products applied to the lips
Notes	IFRA FLAVOR REQUIREMENTS:
use level in formulae for use in cosmetics	9.3200 %
Dermal Systemic Exposure in Cosmetic Products	0.24 mg/kg/day (IFRA, 2001)
Maximised Survey-derived Daily Intakes (MSDI-EU)	0.011 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)	1000 (μg/person/day)
Threshold of Concern	1800 (μg/person/day)
Structure Class	I
Dairy products, excluding products of category 02.0 (01.0)	3.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)	2.00000
Edible ices, including sherbet and sorbet (03.0)	3.00000
Processed fruit (04.1)	2.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)	-
Confectionery (05.0)	4.00000
Chewing gum (05.3)	-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)	2.00000
Bakery wares (07.0)	5.00000
Meat and meat products, including poultry and game (08.0)	1.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)	1.00000
Eggs and egg products (10.0)	-
Sweeteners, including honey (11.0)	-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)	2.00000
Foodstuffs intended for particular nutritional uses (13.0)	3.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)	-
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)	4.00000
Ready-to-eat savouries (15.0)	5.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)	2.00000

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79-89-0 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl

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Potential Uses

a suma FR acacia FR amber amour-amour anais anais FR angel essence arpege FR baby powder FR balsam FR bayberry FR beeswax absolute replacer FR berry FR blackberry blue dream FR blue grass FR blue mist FR blueberry FR bouquet cabochard FR carnation FR cassia FR cedar chanel #5 charlie FR cherry FR cherry blossom chloe FR chypre cinq fleurs forvil FR cranberry FR cyclamen diffusion estee FR fern FR fetes fidji FR fir needle oil replacer fixer FR floral FR florida breeze FR fruit FR gardenia FR genet FR ginger white ginger FR heather FR honey FR jasmin je reviens jicky FR jonquil joy l'air du temps l'heure bleue l'origan FR leather FR leather russian leather FR lily of the valley lux beauty shower soap FR maja FR millefleurs FR mimosa FR mint FR moss FR musk my sin nemesia norell FR ophira FR oriental FR orris paris FR patchouli FR petunia FR potpourri FR powder presence FR prune FR raspberry FR rose FR rose tea rose FR sandalwood scandal shalimar FR spice FR strawberry FL/FR valerian vika cologne FR violet vol de nuit FR wallflower FR wisteria FR woody FR zibeline

Natural Occurrence

not found in nature

Synonyms

3- buten-2-one, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- delta- iraldeine beta-iso methyl ionone delta- methyl ionone (so called) (3E)-3- methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one 3- methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one (E)-3- methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one gamma- methyl-beta-ionone iso methyl-beta-ionone beta-iso methylionone 4-(2,6,6- trimethyl-1-cyclohexen-1-yl)-3-methyl-3-buten-2-one 4-(2,6,6- trimethyl-1-cyclohexenyl)-3-methyl-3-buten-2-one Try the PubMed Search.