cassis cyclohexene
cassiffix (IFF)

Sponsors

Fragrance Demo Formulas
CAS Number: 139539-66-5
ECHA EC Number: 422-040-1
Molecular Weight: 234.38242000
Formula: C16 H26 O
CAS Number: 139539-67-6
Molecular Weight: 234.38242000
Formula: C16 H26 O
CAS Number: 426218-78-2
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
PubMed: Search
NCBI: Search
 
Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.98000 to 0.98800 25.00 °C.
Pounds per Gallon - (est).: 8.155 to 8.221
Refractive Index: 1.49900 to 1.50400 @ 20.00 °C.
Flash Point: 212.00 °F. TCC ( 100.00 °C. )
logP (o/w): 3.660
Shelf Life: 36.00 month(s) or longer if stored properly.
Storage: store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
Insoluble in:
 water
Stability:
 alcoholic lotion
 antiperspirant
 deo stick
 detergent
 fabric softener
 shampoo
 soap
 
Organoleptic Properties:
Odor Type: floral
Odor Strength: medium
Substantivity: 24 hour(s) at 100.00 %
 herbal fruity currant bud black currant bud
Odor Description:
at 100.00 %.
herbal fruity cassis
Luebke, William tgsc, (2007)
Odor and/or flavor descriptions from others (if found).
IFF
Cassiffix®
Odor Description: A non-sulfur substantive fruity, green, cassis note. Gives sparkle to a wide range of citrus fragrances
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.
 
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses:
 
Suppliers:
Azelis UK
Cassiffix®
Services
Creatingperfume.com
CASSIFFIX (IFF)
Odor: Fruity, blackcurrant, green, cassis note
Ernesto Ventós
CASSIFIX IFF
Odor: FRESH, HERBAL, FRUITY, CASSIS
IFF
Cassiffix®
Odor: A non-sulfur substantive fruity, green, cassis note. Gives sparkle to a wide range of citrus fragrances
Use: 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.
Penta International
CASSIFFIX
Perfumery Laboratory
CASSIFIX® IFF (CASSIFFIX® (IFF)
Odor: Bright aroma of rind of fresh berries of black currant
Taytonn
Cassiffix®
Odor: Fresh, Fruity, Green
The John D. Walsh Company
Cassiffix
 
Safety Information:
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
 
Safety in Use Information:
Category: fragrance agents
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.
 
Safety References:
EPA Substance Registry Services (TSCA): 139539-66-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
National Institute of Allergy and Infectious Diseases: Data
Chemidplus: 0426218782
 
References:
Leffingwell: Chirality or Article
Pubchem (cas): 139539-66-5
Pubchem (cas): 139539-67-6
Pubchem (sid): 135362882
 
Other Information:
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2932.99.0000
 
Potential Blenders and core components note
For Odor
aldehydic
citrus carbaldehyde
FR
balsamic
fir balsam absolute
FR
fir carboxylate
FR
hexyl cinnamate
FR
citrus
acetaldehyde citronellyl methyl acetal
FR
(R)-
citronellyl nitrile
FR
citrus specialty
FR
fatty
hexyl pivalate
FR
floral
alpha-
amyl cinnamaldehyde diethyl acetal
FR
butyl tiglate
FR
cassis buteneone
FR
cassis oxime 10%
FR
cassis specialty
FR
cymbopogon validus leaf oil
FR
gamma-
damascone
FR
dihydromyrcene
FR
6,8-
dimethyl-2-nonanol
FR
2,4-
dimethyl-3-cyclohexene-1-methanol
FR
eau de brouts absolute
FR
floral pyranol
FR
heather fragrance
FR
heliotrope absolute
FR
herbal pyran
FR
ho leaf oil
FR
hyacinth ether
FR
jasmin cyclopentanol
FR
karo karounde absolute
FR
lavandin concrete decolorized
FR
lavender absolute replacer
FR
lavender oil replacer
FR
leerall
FR
menthadienyl formate
FR
(2-
methoxy-1-methyl propyl) benzene
FR
nonisyl propionate
FR
orris pyridine 25% IPM
FR
pelargonium graveolens flower water
FR
peony alcohol
FR
rose carboxylate
FR
sambucus nigra flower oil CO2 extract
FR
tetrahydrolinalyl acetate
FR
tilia cordata flower oil CO2 extract
FR
violet methyl carbonate
FR
fruity
allyl amyl glycolate
FR
3-
allyl oxy-1,4-dimethyl bicyclo(3.2.1)octane
FR
balsam specialty
FR
berry hexanoate
FR
3-
butyl bicyclo[3.2.1]-6-octen-2-one
FR
1,4-
dibutyl-6,8-dioxabicyclo(3.2.1)octane
FR
dimethyl benzyl carbinyl isobutyrate
FR
ethyl 2-cyclohexyl propionate
FR
endo-
ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
FR
fig crotonate
FR
fruity butanate
FR
green acetate
FR
heptyl valerate
FR
nerolidyl isobutyrate
FR
(Z)-6-
nonen-1-al dimethyl acetal
FR
rhubarb undecane
FR
tropical specialty
FR
green
actinidia chinensis fruit water
FR
allyl phenethyl ether
FR
dicyclopentadiene propionate
FR
galbanum specialty
FR
green dioxolane
FR
herbal cyclohexane
FR
(Z)-3-
hexen-1-yl angelate
FR
(Z)-3-
hexenyl methyl ether
FR
neogall
FR
1-[(3aS,7aR)-3a,4,7,7a-
tetrahydro-1H-inden-6-yl]ethanone
FR
violet dienyne
FR
herbal
artemisia ludoviciana oil
FR
calendula officinalis flower oil CO2 extract
FR
cananga fruit oil
FR
carrot seed oil (daucus carota ssp. gummifer hook. fil.) spain
FR
chamomile isobutyrate
FR
chamomile propionate
FR
chamomile valerate
FR
chrysanthemum ketone
FR
inula root oil
FR
juniper carboxaldehyde
FR
lavandin flower water
FR
lavender stem oil lithuania
FR
6-
methoxy-2,6-dimethyl octanal
FR
methyl cyclogeranate (Firmenich)
FR
nonisyl acetate
FR
1,3-
oxathiane, 2-ethyl-4,4-dimethyl-
FR
tricyclodecenyl isobutyrate
FR
tricyclodecenyl propionate
FR
tricyclodecyl acetate
FR
melon
watermelon ketone
FR
mossy
veramoss (IFF)
FR
spicy
carnation absolute
FR
2,5-
dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate
FR
tonka
tonka bean absolute
FR
woody
2-
decalinyl acetate
FR
patchouli absolute
FR
santall
FR
verdoxan
FR
(Z)-
woody amylene
FR
zdravetz absolute
FR
For Flavor
 
Potential Uses:
 berry 
 cassis black currant budFL/FR
 citrusFR
 floralFR
 fruitFR
 herbalFR
 tropical 
 
Occurrence (nature, food, other): note
 not found in nature
 
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
 
 
Notes:
None found
 
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