EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

cassis buteneone
(E)-delta-damascone

Sponsors

Fragrance Demo Formulas
CAS Number: 71048-82-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:275-156-8
Nikkaji Web:J65.767K
Beilstein Number:1939321
XlogP3-AA:3.40 (est)
Molecular Weight:192.30160000
Formula:C13 H20 O
NMR Predictor:Predict (works with chrome or firefox)
Category:cosmetic and 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
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.92600 to 0.93400 @ 25.00 °C.
Pounds per Gallon - (est).: 7.705 to 7.772
Specific Gravity:0.92700 to 0.93500 @ 20.00 °C.
Pounds per Gallon - est.: 7.723 to 7.789
Refractive Index:1.48900 to 1.49400 @ 20.00 °C.
Boiling Point: 263.00 to 264.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.010000 mm/Hg @ 25.00 °C. (est)
Flash Point: 218.00 °F. TCC ( 103.33 °C. )
logP (o/w): 3.832 (est)
Soluble in:
 alcohol
 water, 13.3 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
Substantivity:220 hour(s) at 100.00 %
fruity sweet rose natural petal currant bud black currant bud
Odor Description:at 1.00 % in dipropylene glycol. fruity sweet rose natural petal cassis black currant
Luebke, William tgsc, (1995)
Odor sample from: International Flavors & Fragrances Inc.
Flavor Type: woody
">woody astringent berry spicy
Taste Description: woody astringent berry spice
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: cosmetic and fragrance agents
IFRA Critical Effect: Sensitization
IFRA: View Standard
Fragrance usage is IFRA RESTRICTED. View Standard for complete information.
Please review all IFRA documents for complete information.
IFRA categories: limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
Category 1:
See Note (1)
0.003 % (1)
Category 2:  0.004 %
Category 3:  0.02 %
Category 4:  0.02 %
Category 5:  0.02 %
Category 6:  0.07 % (1)
Category 7:  0.008 %
Category 8:  0.02 %
Category 9:  0.02 %
Category 10:  0.02 %
Category 11: See Note (2)
 Notes:
 

For this material, for pragmatic reasons, restrictive levels allowed by the QRA for certain categories but actually being higher than those already in place before applying the QRA, will temporarily not be implemented until the end of a 5 year monitoring phase. At the end of the 5 years the position will be reevaluated again.

 

(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org).

 

(2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product.

use level in formulae for use in cosmetics:
  0.0940 %
Dermal Systemic Exposure in Cosmetic Products:
 0.0024 mg/kg/day (IFRA, 2002)
 
Recommendation for cassis buteneone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):71048-82-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5365916
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WGK Germany:2
(E)-1-(2,6,6-trimethyl-1-cyclohex-3-enyl)but-2-en-1-one
Chemidplus:0071048823
 
References:
 (E)-1-(2,6,6-trimethyl-1-cyclohex-3-enyl)but-2-en-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:71048-82-3
Pubchem (cid):5365916
Pubchem (sid):135002562
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):HMDB35682
FooDB:FDB014463
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
2-
ethyl butyric acid
FL/FR
aldehydic
decanal (aldehyde C-10)
FL/FR
nonanal (aldehyde C-9)
FL/FR
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
amber
angelica root oil
FL/FR
animal
animal carbolactone
FR
iso
butyl quinoline
FR
iso
butyl quinoline
FR
costus valerolactone
FR
anise
anise seed oil colombia
FL/FR
anisic
para-
anisaldehyde
FL/FR
aromatic
damascone carboxylate
FR
balsamic
iso
amyl cinnamate
FL/FR
amyris wood oil
FL/FR
benzyl cinnamate
FL/FR
iso
butyl cinnamate
FL/FR
cinnamyl alcohol
FL/FR
clover nitrile
FR
ethyl cinnamate
FL/FR
fir balsam absolute
FR
3-
phenyl propyl alcohol
FL/FR
berry
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
raspberry ketone methyl ether
FL/FR
caramellic
maltol
FL/FR
maltyl isobutyrate
FL/FR
strawberry furanone
FL/FR
citrus
grapefruit oil c.p. california
FL/FR
grapefruit pentanol
FR
blood
orange oil italy
FL/FR
10-
undecen-1-ol
FL/FR
floral
iso
amyl salicylate
FL/FR
benzyl acetate
FL/FR
benzyl isobutyrate
FL/FR
bois de rose oil brazil
FL/FR
boronia concrete
FL/FR
cassis cyclohexene
FR
cassis oxime 10%
FR
cassis specialty
FR
citronellal diisotridecyl acetal
FR
citronellyl acetate
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl anthranilate
FL/FR
citronellyl benzoate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl isovalerate
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
coriander seed oil
FL/FR
black
currant bud concrete
FL/FR
cyclamen aldehyde
FL/FR
3-
cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
FR
cyclohexyl ethyl alcohol
FL/FR
beta-
damascenone
FL/FR
alpha-
damascone
FL/FR
delta-
damascone
FL/FR
dewy propionate
FR
dimethyl anthranilate
FL/FR
dimethyl benzyl carbinol
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
eucalyptus macarthurii oil
FR
floral pyranol
FR
geraniol
FL/FR
geranium oil egypt fractions
FR
geranyl acetate
FL/FR
(E)-
geranyl acetone
FL/FR
geranyl formate
FL/FR
geranyl phenyl acetate
FL/FR
geranyl propionate
FL/FR
geranyl valerate
FL/FR
heliotropin
FL/FR
heliotropyl acetone
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hyacinth ether
FR
hydroxycitronellal
FL/FR
leerall
FR
laevo-
linalool
FL/FR
linalool
FL/FR
linalool oxide
FL/FR
(3-
methoxy-2-methyl propyl) benzene
FR
methyl dihydrojasmonate
FL/FR
mimosa absolute france
FL/FR
muguet carboxaldehyde
FR
muguet octadienol
FR
nerol
FL/FR
neryl acetate
FL/FR
ocean propanal
FL/FR
peony alcohol
FR
phenethyl acetate
FL/FR
phenethyl alcohol
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
phenethyl phenyl acetate
FL/FR
2-
phenethyl valerate
FL/FR
rhodinyl butyrate
FL/FR
rose butanoate
FL/FR
rose petal acetate
FR
styralyl propionate
FL/FR
violet methyl carbonate
FR
fresh
10-
undecen-1-yl acetate
FL/FR
fruity
allyl amyl glycolate
FR
allyl cyclohexyl propionate
FL/FR
allyl isononylate
FR
artemisia pallens herb oil
FL/FR
benzyl propionate
FL/FR
berry hexanoate
FR
butyl valerate
FL/FR
neo
caspirene
FL/FR
black
currant bud water
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-alpha-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
gamma-
decalactone
FL/FR
dimethyl benzyl carbinyl isobutyrate
FR
(E)-
ethyl tiglate
FL/FR
(E,Z)-6-
ethyl-5,7-dimethyl-2,5-octadien-4-one
FR
geranyl butyrate
FL/FR
green acetate
FR
3-
mercaptohexyl acetate
FL/FR
octyl formate
FL/FR
(E,E)-
pomarose
FR
ribes nigrum bud extract
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
thesaron (Takasago)
FR
para-
tolualdehyde
FL/FR
tropical trithiane
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
green
iso
amyl formate
FL/FR
black
currant bud absolute replacer
FL/FR
galbanum oil
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
hexyl phenyl acetate
FL/FR
hexyl tiglate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
(Z)-
leaf acetal
FL/FR
melon nonenoate
FL/FR
methyl heptine carbonate
FL/FR
methyl octine carbonate
FL/FR
violet leaf absolute
FL/FR
herbal
barosma betulina leaf oil
FL/FR
buchu mercaptan acetate
FL/FR
carum carvi fruit oil
FL/FR
clary sage oil france
FL/FR
geranium cyclohexane
FR
geranyl octanoate
FL/FR
juniper carboxaldehyde
FR
linalyl formate
FL/FR
methyl ortho-anisate
FL/FR
1,3-
oxathiane, 2-ethyl-4,4-dimethyl-
FR
melon
melon heptenal
FL/FR
minty
agathosma crenulata leaf oil
FL/FR
diosphenol
FL/FR
mossy
oakmoss absolute
FL/FR
veramoss (IFF)
FR
powdery
para-
anisyl alcohol
FL/FR
spicy
cassia bark oil china
FL/FR
clove bud oil
FL/FR
black
currant bud absolute
FL/FR
iso
eugenyl acetate
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
4-
methoxy-2-methyl butane thiol
FL/FR
(S)-1-
methoxy-3-heptane thiol
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
4-
tropical oxathiane
FL/FR
terpenic
cassis bud oil
FL/FR
alpha-
terpineol
FL/FR
tonka
coumarin
FR
tonka bean absolute
FR
vanilla
vanilla bean absolute (vanilla planifolia)
FL/FR
vanillyl acetate
FL/FR
waxy
ethyl nonanoate
FL/FR
winey
butyl angelate
FL/FR
woody
amyris bark oil
FL/FR
methyl cedryl ketone
FL/FR
santall
FR
santalyl butyrate
FL/FR
tobacarol (IFF)
FR
(Z)-
woody amylene
FR
For Flavor
No flavor group found for these
amyris bark oil
FL/FR
boronia concrete
FL/FR
butyl angelate
FL/FR
neo
caspirene
FL/FR
citronellyl benzoate
FL/FR
citronellyl isovalerate
FL/FR
diosphenol
FL/FR
geranyl octanoate
FL/FR
geranyl valerate
FL/FR
linalyl formate
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
methyl ortho-anisate
FL/FR
2-
phenethyl valerate
FL/FR
santalyl butyrate
FL/FR
10-
undecen-1-ol
FL/FR
beta-
damascone
FL/FR
acidic
acidic
2-
ethyl butyric acid
FL/FR
aldehydic
nonanal (aldehyde C-9)
FL/FR
anise
anise seed oil colombia
FL/FR
balsamic
iso
butyl cinnamate
FL/FR
ethyl cinnamate
FL/FR
berry
heliotropyl acetone
FL/FR
(S)-1-
methoxy-3-heptane thiol
FL/FR
raspberry ketone
FL/FR
raspberry ketone acetate
FL/FR
raspberry ketone methyl ether
FL/FR
caramellic
maltol
FL/FR
strawberry furanone
FL/FR
cherry
heliotropin
FL/FR
citrus
grapefruit oil c.p. california
FL/FR
linalool
FL/FR
laevo-
linalool
FL/FR
nerol
FL/FR
blood
orange oil italy
FL/FR
styralyl propionate
FL/FR
alpha-
terpineol
FL/FR
creamy
para-
anisaldehyde
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
fatty
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
floral
iso
amyl cinnamate
FL/FR
bois de rose oil brazil
FL/FR
citronellyl acetate
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geraniol
FL/FR
(E)-
geranyl acetone
FL/FR
geranyl phenyl acetate
FL/FR
methyl dihydrojasmonate
FL/FR
neryl acetate
FL/FR
ocean propanal
FL/FR
phenethyl alcohol
FL/FR
rhodinyl butyrate
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
para-
anisyl alcohol
FL/FR
artemisia pallens herb oil
FL/FR
benzyl acetate
FL/FR
benzyl isobutyrate
FL/FR
benzyl propionate
FL/FR
buchu mercaptan acetate
FL/FR
butyl valerate
FL/FR
cassis bud oil
FL/FR
citronellyl anthranilate
FL/FR
black
currant bud absolute replacer
FL/FR
black
currant bud concrete
FL/FR
black
currant bud water
FL/FR
(E)-alpha-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
alpha-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
gamma-
decalactone
FL/FR
dimethyl anthranilate
FL/FR
(E)-
ethyl tiglate
FL/FR
geranyl butyrate
FL/FR
hexyl phenyl acetate
FL/FR
phenethyl isovalerate
FL/FR
ribes nigrum bud extract
FL/FR
rose butanoate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
4-
tropical oxathiane
FL/FR
tropical trithiane
FL/FR
greasy
10-
undecen-1-yl acetate
FL/FR
green
iso
amyl formate
FL/FR
iso
amyl salicylate
FL/FR
angelica root oil
FL/FR
cassis pentanone
FL/FR
cinnamyl alcohol
FL/FR
(E)-
citronellyl tiglate
FL/FR
cyclamen aldehyde
FL/FR
cyclohexyl ethyl alcohol
FL/FR
galbanum oil
FL/FR
geranyl acetate
FL/FR
geranyl formate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
hexyl tiglate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
(Z)-
leaf acetal
FL/FR
linalool oxide
FL/FR
melon heptenal
FL/FR
melon nonenoate
FL/FR
methyl heptine carbonate
FL/FR
methyl octine carbonate
FL/FR
oakmoss absolute
FL/FR
octyl formate
FL/FR
violet leaf absolute
FL/FR
herbal
barosma betulina leaf oil
FL/FR
carum carvi fruit oil
FL/FR
clary sage oil france
FL/FR
coriander seed oil
FL/FR
honey
phenethyl acetate
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl phenyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
medicinal
dimethyl benzyl carbinol
FL/FR
minty
agathosma crenulata leaf oil
FL/FR
spicy
benzyl cinnamate
FL/FR
cassia bark oil china
FL/FR
clove bud oil
FL/FR
black
currant bud absolute
FL/FR
iso
eugenyl acetate
FL/FR
3-
phenyl propyl alcohol
FL/FR
para-
tolualdehyde
FL/FR
sulfurous
buchu mercaptan
FL/FR
4-
methoxy-2-methyl butane thiol
FL/FR
tropical
3-
mercaptohexyl acetate
FL/FR
vanilla
vanilla bean absolute (vanilla planifolia)
FL/FR
vanillyl acetate
FL/FR
waxy
decanal (aldehyde C-10)
FL/FR
ethyl nonanoate
FL/FR
geranyl propionate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
FL/FR
mimosa absolute france
FL/FR
woody
amyris wood oil
FL/FR
beta-
damascenone
FL/FR
delta-
damascone
FL/FR
methyl cedryl ketone
FL/FR
 
Potential Uses:
FRacacia
FRanimal
FL/FRcurrant bud absolute replacer
FRfloral
FRoriental
FRrose
FRtobacco
FRtuberose
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-buten-1-one, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-, (2E)-
 cassis buteneone
(E)-8-damascone
(E)-delta-damascone
 dihydrofloriffone TD
(E,E)-delta-rose ketone-3
trans,trans-delta-rose ketone-3
(1alpha(E),2beta)-1-(2,6,6-trimethyl cyclohex-3-en-1-yl) but-2-en-1-one
(E)-1-(2,6,6-trimethyl-1-cyclohex-3-enyl)but-2-en-1-one
trans-1-(2,6,6-trimethyl-1-cyclohex-3-enyl)but-2-en-1-one
(2E)-1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one
(E)-1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one
(E)-1-(2b,6,6-trimethyl-3-cyclohexen-1a-yl)-2-butene-1-one
(E)-1-(2beta,6,6-trimethyl-3-cyclohexen-1alpha-yl)-2-butene-1-one
(2E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one
 
 
Notes:
Food flavouring and perfumery ingredient
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