petitgrain heptane

isoproxen (IFF)

CAS: 90530-04-4 C12 H20 O MW: 180.29060000 herbal

All Ingredients Aromatic Ingredients CAS Numbers EINECS Numbers Fragrance Ingredients M.W Index Odor Substantivity Refractive Index Specific Gravity

Identification

Name	petitgrain heptane
IUPAC	6-ethylidenebicyclo[2.2.1]hept-2-yl propan-2-yl ether
CAS Number	90530-04-4
EINECS	292-041-8
FDA UNII	Search
Molecular Formula	C12 H20 O
Molecular Weight	180.29060000

Regulatory

Physical Properties

Appearance	colorless to pale yellow clear liquid (est)
Assay	99.00 to 100.00 sum of isomers
Food Chemicals Codex Listed	No
Specific Gravity	0.90200 to 0.91000 @ 25.00 °C., 0.90300 to 0.91100 @ 20.00 °C.
Pounds per Gallon - (est).	7.506 to 7.572
Pounds per Gallon - est.	7.523 to 7.589
Refractive Index	1.46200 to 1.46800 @ 20.00 °C.
Boiling Point	230.00 to 231.00 °C. @ 760.00 mm Hg
Flash Point	165.00 °F. TCC ( 73.89 °C. )
logP (o/w)	3.410
Soluble in	alcohol
Insoluble in	water
Stability	acid cleaner

Cosmetic Information

CosIng	cosmetic data
Cosmetic Uses	perfuming agents

Organoleptic Properties

Odor Strength	medium
Substantivity	12 hour(s) at 100.00 %
Odor Description	at 100.00 %. Fresh, herbal, citrus note with bergamot, petit grain, zesty, aninisic facets and costus nuances Anise/ Anisic/ Anis, Citrus, Herbal/ Herbaceous, Licorice, Petitgrain

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 petitgrain heptane usage levels up to	5.0000 % in the fragrance concentrate.
Recommendation for petitgrain heptane flavor usage levels up to	not for flavor use.

Azelis UK Ltd.

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Taytonn ASCC Pte Ltd

Supplying Asia Pacific

We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service.

Isoproxen

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Potential Uses

FR amber FR animal FR bergamot FR citrus FR costus detergents FR hay new mown hay FR herbal FR licorice FR petitgrain

Natural Occurrence

not found in nature

Synonyms

bicyclo(2.2.1)heptane-2-ethylidene-6-isopropoxy 2- ethylidene-6-isopropoxybicyclo(2.2.1)heptane 6- ethylidenebicyclo[2.2.1]hept-2-yl propan-2-yl ether isoproxen (IFF) petitgrain heptane 2- propanol reaction products with boron trifluoride and 5-ethylidene bicyclo(2.2.1)hept-2-ene tricyclo-2,2,1.0(2,6)-heptone, 2-ethyl-5-isopropoxy Try the PubMed Search.