cassis buteneone
(E)-delta-damascone
 
Notes:
Food flavouring and perfumery ingredient
Synonyms   Articles   Notes   Search
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
Synonyms   Articles   Notes   Search   Top
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 mmHg @ 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)
Synonyms   Articles   Notes   Search   Top
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)
 
 
Flavor Type: woody
 
 woody  astringent  berry  spicy  
Taste Description:
woody astringent berry spice
 
Odor and/or flavor descriptions from others (if found).
 
 
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
Synonyms   Articles   Notes   Search   Top
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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.
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
acidic
2-ethyl butyric acidFL/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 oilFL/FR
animal
 animal carbolactoneFR
isobutyl quinolineFR
isobutyl quinolineFR
 costus valerolactoneFR
anise
 anise seed oil colombiaFL/FR
anisic
para-anisaldehydeFL/FR
aromatic
 damascone carboxylateFR
balsamic
isoamyl cinnamateFL/FR
 amyris wood oilFL/FR
 benzyl cinnamateFL/FR
isobutyl cinnamateFL/FR
 cinnamyl alcoholFL/FR
 clover nitrileFR
 ethyl cinnamateFL/FR
 fir balsam absoluteFR
3-phenyl propyl alcoholFL/FR
berry
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
caramellic
 maltolFL/FR
 maltyl isobutyrateFL/FR
 strawberry furanoneFL/FR
citrus
 grapefruit oil c.p. californiaFL/FR
 grapefruit pentanolFR
blood orange oil italyFL/FR
10-undecen-1-olFL/FR
floral
isoamyl salicylateFL/FR
 benzyl acetateFL/FR
 benzyl isobutyrateFL/FR
 bois de rose oil brazilFL/FR
 boronia concreteFL/FR
 cassis cyclohexeneFR
 cassis oxime 10%FR
 cassis specialtyFR
 citronellal diisotridecyl acetalFR
 citronellyl acetateFL/FR
(S)-citronellyl acetateFL/FR
 citronellyl anthranilateFL/FR
 citronellyl benzoateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl isovalerateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 coriander seed oilFL/FR
black currant bud concreteFL/FR
 cyclamen aldehydeFL/FR
3-cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl esterFR
 cyclohexyl ethyl alcoholFL/FR
beta-damascenoneFL/FR
alpha-damasconeFL/FR
delta-damasconeFL/FR
 dewy propionateFR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 eucalyptus macarthurii oilFR
 floral pyranolFR
 geraniolFL/FR
 geranium oil egypt fractionsFR
 geranyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl formateFL/FR
 geranyl phenyl acetateFL/FR
 geranyl propionateFL/FR
 geranyl valerateFL/FR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 leerallFR
laevo-linaloolFL/FR
 linaloolFL/FR
 linalool oxideFL/FR
(3-methoxy-2-methyl propyl) benzeneFR
 methyl dihydrojasmonateFL/FR
 mimosa absolute franceFL/FR
 muguet carboxaldehydeFR
 muguet octadienolFR
 nerolFL/FR
 neryl acetateFL/FR
 ocean propanalFL/FR
 peony alcoholFR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl phenyl acetateFL/FR
2-phenethyl valerateFL/FR
 rhodinyl butyrateFL/FR
 rose butanoateFL/FR
 rose petal acetateFR
 styralyl propionateFL/FR
 violet methyl carbonateFR
fresh
10-undecen-1-yl acetateFL/FR
fruity
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
 allyl isononylateFR
 artemisia pallens herb oilFL/FR
 benzyl propionateFL/FR
 berry hexanoateFR
 butyl valerateFL/FR
black currant bud waterFL/FR
(Z)-beta-damasconeFL/FR
(E)-alpha-damasconeFL/FR
(E)-beta-damasconeFL/FR
beta-damasconeFL/FR
gamma-decalactoneFL/FR
 dimethyl benzyl carbinyl isobutyrateFR
(E)-ethyl tiglateFL/FR
(E,Z)-6-ethyl-5,7-dimethyl-2,5-octadien-4-oneFR
 geranyl butyrateFL/FR
 green acetateFR
3-mercaptohexyl acetateFL/FR
 neocaspireneFL/FR
 octyl formateFL/FR
(E,E)-pomaroseFR
 ribes nigrum bud extractFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 thesaron (Takasago)FR
para-tolualdehydeFL/FR
 tropical trithianeFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
green
isoamyl formateFL/FR
black currant bud absolute replacerFL/FR
 galbanum oilFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl phenyl acetateFL/FR
 hexyl tiglateFL/FR
2,4-ivy carbaldehydeFL/FR
(Z)-leaf acetalFL/FR
 melon nonenoateFL/FR
 methyl heptine carbonateFL/FR
 methyl octine carbonateFL/FR
 violet leaf absoluteFL/FR
herbal
 barosma betulina leaf oilFL/FR
 buchu mercaptan acetateFL/FR
 carum carvi fruit oilFL/FR
 clary sage oil franceFL/FR
 geranium cyclohexaneFR
 geranyl octanoateFL/FR
 juniper carboxaldehydeFR
 linalyl formateFL/FR
 methyl ortho-anisateFL/FR
1,3-oxathiane, 2-ethyl-4,4-dimethyl-FR
melon
 melon heptenalFL/FR
minty
 agathosma crenulata leaf oilFL/FR
 diosphenolFL/FR
mossy
 oakmoss absoluteFL/FR
 veramoss (IFF)FR
powdery
para-anisyl alcoholFL/FR
spicy
 cassia bark oil chinaFL/FR
 clove bud oilFL/FR
black currant bud absoluteFL/FR
isoeugenyl acetateFL/FR
sulfurous
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
4-methoxy-2-methyl butane thiolFL/FR
(S)-1-methoxy-3-heptane thiolFL/FR
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
4-tropical oxathianeFL/FR
terpenic
 cassis bud oilFL/FR
alpha-terpineolFL/FR
tonka
 coumarinFR
 tonka bean absoluteFR
vanilla
 vanilla bean absolute (vanilla planifolia)FL/FR
 vanillyl acetateFL/FR
waxy
 ethyl nonanoateFL/FR
winey
 butyl angelateFL/FR
woody
 amyris bark oilFL/FR
 methyl cedryl ketoneFL/FR
 santallFR
 santalyl butyrateFL/FR
 tobacarol (IFF)FR
(Z)-woody amyleneFR
 
For Flavor
 
No flavor group found for these
 amyris bark oilFL/FR
 boronia concreteFL/FR
 butyl angelateFL/FR
 citronellyl benzoateFL/FR
 citronellyl isovalerateFL/FR
 diosphenolFL/FR
 geranyl octanoateFL/FR
 geranyl valerateFL/FR
 linalyl formateFL/FR
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
 methyl ortho-anisateFL/FR
 neocaspireneFL/FR
2-phenethyl valerateFL/FR
 santalyl butyrateFL/FR
10-undecen-1-olFL/FR
beta-damasconeFL/FR
acidic
2-ethyl butyric acidFL/FR
aldehydic
 nonanal (aldehyde C-9)FL/FR
anise
 anise seed oil colombiaFL/FR
balsamic
isobutyl cinnamateFL/FR
 ethyl cinnamateFL/FR
berry
 heliotropyl acetoneFL/FR
(S)-1-methoxy-3-heptane thiolFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
caramellic
 maltolFL/FR
 strawberry furanoneFL/FR
cherry
 heliotropinFL/FR
citrus
 grapefruit oil c.p. californiaFL/FR
laevo-linaloolFL/FR
 linaloolFL/FR
 nerolFL/FR
blood orange oil italyFL/FR
 styralyl propionateFL/FR
alpha-terpineolFL/FR
creamy
para-anisaldehydeFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
fatty
10-undecenal (aldehyde C-11 undecylenic)FL/FR
floral
isoamyl cinnamateFL/FR
 bois de rose oil brazilFL/FR
 citronellyl acetateFL/FR
(S)-citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geraniolFL/FR
(E)-geranyl acetoneFL/FR
 geranyl phenyl acetateFL/FR
 methyl dihydrojasmonateFL/FR
 neryl acetateFL/FR
 ocean propanalFL/FR
 phenethyl alcoholFL/FR
 rhodinyl butyrateFL/FR
fruity
 allyl cyclohexyl propionateFL/FR
para-anisyl alcoholFL/FR
 artemisia pallens herb oilFL/FR
 benzyl acetateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
 buchu mercaptan acetateFL/FR
 butyl valerateFL/FR
 cassis bud oilFL/FR
 citronellyl anthranilateFL/FR
black currant bud absolute replacerFL/FR
black currant bud concreteFL/FR
black currant bud waterFL/FR
(Z)-beta-damasconeFL/FR
(E)-alpha-damasconeFL/FR
(E)-beta-damasconeFL/FR
alpha-damasconeFL/FR
gamma-decalactoneFL/FR
 dimethyl anthranilateFL/FR
(E)-ethyl tiglateFL/FR
 geranyl butyrateFL/FR
 hexyl phenyl acetateFL/FR
 phenethyl isovalerateFL/FR
 ribes nigrum bud extractFL/FR
 rose butanoateFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
4-tropical oxathianeFL/FR
 tropical trithianeFL/FR
greasy
10-undecen-1-yl acetateFL/FR
green
isoamyl formateFL/FR
isoamyl salicylateFL/FR
 angelica root oilFL/FR
 cassis pentanoneFL/FR
 cinnamyl alcoholFL/FR
(E)-citronellyl tiglateFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 galbanum oilFL/FR
 geranyl acetateFL/FR
 geranyl formateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl tiglateFL/FR
2,4-ivy carbaldehydeFL/FR
(Z)-leaf acetalFL/FR
 linalool oxideFL/FR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methyl heptine carbonateFL/FR
 methyl octine carbonateFL/FR
 oakmoss absoluteFL/FR
 octyl formateFL/FR
 violet leaf absoluteFL/FR
herbal
 barosma betulina leaf oilFL/FR
 carum carvi fruit oilFL/FR
 clary sage oil franceFL/FR
 coriander seed oilFL/FR
honey
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl phenyl acetateFL/FR
jammy
 maltyl isobutyrateFL/FR
medicinal
 dimethyl benzyl carbinolFL/FR
minty
 agathosma crenulata leaf oilFL/FR
spicy
 benzyl cinnamateFL/FR
 cassia bark oil chinaFL/FR
 clove bud oilFL/FR
black currant bud absoluteFL/FR
isoeugenyl acetateFL/FR
3-phenyl propyl alcoholFL/FR
para-tolualdehydeFL/FR
sulfurous
 buchu mercaptanFL/FR
4-methoxy-2-methyl butane thiolFL/FR
tropical
3-mercaptohexyl acetateFL/FR
vanilla
 vanilla bean absolute (vanilla planifolia)FL/FR
 vanillyl acetateFL/FR
waxy
 decanal (aldehyde C-10)FL/FR
 ethyl nonanoateFL/FR
 geranyl propionateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellalFL/FR
 mimosa absolute franceFL/FR
woody
 amyris wood oilFL/FR
beta-damascenoneFL/FR
delta-damasconeFL/FR
 methyl cedryl ketoneFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 acaciaFR
 animalFR
 currant bud absolute replacerFL/FR
 floralFR
 orientalFR
 roseFR
 tobaccoFR
 tuberoseFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
Synonyms   Articles   Notes   Search   Top
Please share your Comments.
Email Address:
 
 
 
 
Top of Page Home
Copyright © 1980-2020 Perflavory ™ Disclaimer Privacy Policy