cassis cyclohexene

General Material Information

Trivial Name	cassis cyclohexene
Short Description	cassiffix (IFF)
Formula	C16 H26 O
CAS Number	139539-66-5
CAS Number	139539-67-6
CAS Number	426218-78-2
ECHA Number	422-040-1
FDA UNII	Search
Synonyms	cassiffix (IFF) 5-methyl-1-(2,2,3-trimethyl cyclopentenyl)-6-oxabicyclooctane 3(or 4)- methyl-1-(2,2,3-trimethyl-3-cyclopenten-1-yl)-3-cyclohexene-1-methanol acid-isomerized 5-methyl-1-(2,2,3-trimethyl-3-cyclopentenyl)-6-oxabicyclo(3.2.1)octane 5-methyl-1-(2,2,3-trimethylcyclopentenyl)-6-oxabicyclooctane

HMDB (The Human Metabolome Database):	Search
Export Tariff Code:	2932.99.0000

Azelis UK	Creatingperfume.com
Ernesto Ventós	IFF
M&U International	Penta International
Perfumery Laboratory	Taytonn ASCC
The John D. Walsh Company	Azelis UK Ltd.
M&U International LLC	Penta International Corporation
Taytonn ASCC Pte Ltd	The John D. Walsh Company, Inc
Ernesto Ventós S.A.

Material listed in food chemical codex	No
Molecular weight	234.38241577148
Specific gravity	@ 25 °C
Pounds per Gallon	8.155 to 8.221
Refractive Index	1.499 to 1.504 @ 20 °C
Flash Point TCC Value	100 °C TCC
logP (o/w)	3.66
Shelf life	36 months (or longer if stored properly.)
Storage notes	Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol	Yes
water	No
Stability
alcoholic lotion	Unspecified
antiperspirant	Unspecified
deo stick	Unspecified
detergent	Unspecified
fabric softener	Unspecified
shampoo	Unspecified
soap	Unspecified

Odor Type: Floral
herbal, fruity, currant bud black currant bud, green, berry
Odor strength	medium
Substantivity	24 hour(s) at 100.00 %
Luebke, William tgsc, (2007)	At 100.00 %. herbal fruity cassis green berry
Cassis notes are very important in perfumery and are mostly associated with ingredients containing a sulfur atom. The discovery of Cassiffix ® was serendipitous in nature. IFF R&D were aiming for synthesis of novel cyclic ethers with oxabicyclooctane structures anticipating an amber odor based on the campholenic backbone. It turned out that the Cassiffix ® structure had a Cassis odor. It is one of the few Cassis ingredients that are long-lasting as most Cassis notes are topnotes.	A non-sulfur substantive fruity, green, cassis note. Gives sparkle to a wide range of citrus fragrances

Applications	fragrance agents
Odor purposes	Berry, Citrus, Currant bud absolute replacer, Floral, Fruit, Herbal
Flavoring purposes	Currant bud absolute replacer, Tropical

European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.

Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 > 2000 mg/kg Cassis notes are very important in perfumery and are mostly associated with ingredients containing a sulfur atom. The discovery of Cassiffix^® was serendipitous in nature. IFF R&D were aiming for synthesis of novel cyclic ethers with oxabicyclooctane structures anticipating an amber odor based on the campholenic backbone. It turned out that the Cassiffix^® structure had a Cassis odor. It is one of the few Cassis ingredients that are long-lasting as most Cassis notes are topnotes.
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for cassis cyclohexene usage levels up to:
	5.0000 % in the fragrance concentrate.

Recommendation for cassis cyclohexene flavor usage levels up to:
	not for flavor use.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):139539-66-5

EPA Substance Registry Services (SRS):Registry

National Institute of Allergy and Infectious Diseases:Data

Chemidplus:0426218782