Identification

Nameallyl isononylate
IUPACprop-2-enyl 5,5-dimethylheptanoate
CAS Number68132-80-9
EINECS268-648-9
FDA UNIISearch
Molecular FormulaC12 H22 O2
Molecular Weight198.30574000

Regulatory

Physical Properties

Appearance colorless clear liquid (est)
Assay 98.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.86900 to 0.87600 @ 20.00 °C.
Pounds per Gallon - (est). 7.239 to 7.298
Refractive Index 1.42900 to 1.43300 @ 20.00 °C.
Boiling Point 208.00 to 210.00 °C. @ 760.00 mm Hg
Acid Value 1.00 max. KOH/g
Vapor Pressure 0.032000 mmHg @ 25.00 °C. (est)
Flash Point 181.00 °F. TCC ( 82.78 °C. )
logP (o/w) 4.402 (est)
Soluble in alcohol
Insoluble in water
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Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Description at 100.00 %.

Safety Information

Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

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

Safety in Use

Categoryfragrance agents
RIFM Fragrance Material Safety AssessmentSearch
IFRA Purity Specification< 0.1% free allyl alcohol
Recommendation for allyl isononylate usage levels up to5.0000 % in the fragrance concentrate.
Recommendation for allyl isononylate flavor usage levels up tonot for flavor use.

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Potential Uses

FR floral FR fruit FR rose FL tropical

Natural Occurrence

not found in nature

Synonyms

allyl isononylate allyl trimethyl hexanoate 5,5- allyl trimethyl hexanoate allyl trimethylhexoate hexanoic acid, methyl-, 2-propen-1-yl ester hexanoic acid, trimethyl-, 2-propenyl ester prop-2-en-1-yl 5,5-dimethylheptanoate prop-2-enyl 5,5-dimethyl heptanoate prop-2-enyl 5,5-dimethylheptanoate 2- propenyl 5,5-dimethyl heptanoate 2- propenyl trimethyl hexanoate trimethyl hexanoic acid 2-propenyl ester Try the PubMed Search.