isobutyl ionone

1-hexen-3-one, 5-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

C16 H26 O MW: 234.38242000 woody

Identification

Name	isobutyl ionone
IUPAC	(Z)-5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one
EINECS	309-097-7
FDA UNII	Search
Molecular Formula	C16 H26 O
Molecular Weight	234.38242000
Nikkaji Number	J318.118I

Regulatory

Physical Properties

Appearance	colorless clear liquid (est)
Assay	95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed	No
Specific Gravity	0.89500 to 0.91500 @ 25.00 °C.
Pounds per Gallon - (est).	7.447 to 7.614
Refractive Index	1.48500 to 1.50000 @ 20.00 °C.
Boiling Point	255.00 °C. @ 760.00 mm Hg
Vapor Pressure	0.000460 mmHg @ 25.00 °C. (est)
Flash Point	220.00 °F. TCC ( 104.44 °C. )
logP (o/w)	5.033 (est)
Soluble in	alcohol
Insoluble in	water

Organoleptic Properties

Odor Description

at 100.00 %.

woody vetiver

Safety Information

Oral/Parenteral Toxicity	Not determined
Dermal Toxicity	Not determined
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	fragrance agents
RIFM Fragrance Material Safety Assessment	Search
Recommendation for isobutyl ionone usage levels up to	5.0000 % in the fragrance concentrate.
Recommendation for isobutyl ionone flavor usage levels up to	not for flavor use.

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70092-23-8 5-Methyl-1-(2,6,6-trimethyl-2-cyclohexe 99948-88-6 (E)-5-Methyl-1-(2,6,6-trimethylcyclohex

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Potential Uses

FR balsam FR herbal FR leather FR oriental FR vetiver FR woody

Natural Occurrence

chrysanthemum morifolium

Synonyms

1- hexen-3-one, 5-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- alpha- methyl ethyl ionone 5- methyl-1-(2,6,6-trimethyl cyclohex-2-en-1-yl) hex-1-en-3-one (E)-5- methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one 5- methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one alpha- methylethyl ionone 6-(2,6,6- trimethyl-2-cyclohexen-1-yl)-2-methyl-5-hexen-4-one Try the PubMed Search.