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

plum damascone (high alpha)
isodamascone (high alpha) (Symrise)

Sponsors

Fragrance Demo Formulas
Name:(E)-1-(2,4,4-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
CAS Number: 39872-57-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:254-663-8
Nikkaji Web:J261.465K
XlogP3-AA:3.30 (est)
Molecular Weight:192.30160000
Formula:C13 H20 O
NMR Predictor:Predict (works with chrome or firefox)
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
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 90.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.91800 to 0.92600 @ 25.00 °C.
Pounds per Gallon - (est).: 7.639 to 7.705
Refractive Index:1.48500 to 1.49300 @ 20.00 °C.
Boiling Point: 266.00 to 267.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.008000 mm/Hg @ 25.00 °C. (est)
Vapor Density:6.7 ( Air = 1 )
Flash Point:> 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 3.436 (est)
Shelf Life: 12.00 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
 water, 10.31 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:high ,
recommend smelling in a 10.00 % solution or less
Substantivity:128 hour(s) at 100.00 %
fruity floral plum rose tobacco
Odor Description:at 10.00 % in dipropylene glycol. fruity floral plum rose tobacco
Odor and/or flavor descriptions from others (if found).
Symrise
Isodamascon®
Odor Description:radiant floral-fruity, rosy
Stable in: body lotion (good), shampoo (good), soap (good), ap roll-on (very good), powder (good), cleaner citric (good), cleaner apc (good), bleach (poor).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
CG Herbals
isoDamascone
Indukern F&F
ISODAMASCONE
Odor: FRUITY, FLORAL, ROSY
Lluch Essence
isoDAMASCONE
Organica Aromatics
isoDAMASCONE
NLT 90%(sum of isomers)
Penta International
ISODAMASCONE
Symrise
Isodamascon®
Odor: radiant floral-fruity, rosy
Use: Stable in: body lotion (good), shampoo (good), soap (good), ap roll-on (very good), powder (good), cleaner citric (good), cleaner apc (good), bleach (poor).
Vigon International
Isodamascon
Zanos
Iso Damascone
 
Safety Information:
 
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 6300 mg/kg
Stable in: body lotion (good), shampoo (good), soap (good), ap roll-on (very good), powder (good), cleaner citric (good), cleaner apc (good), bleach (poor).

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
IFRA Critical Effect: Sensitization
IFRA fragrance material specification:
 Should not be used as fragrance ingredients such that the total level in finished cosmetic products exceeds 0.02%, individually or in combination. Based on test data showing sensitising potential for these materials and on evidence of cross-reactivity. (IFRA guidelines)
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:
  0.0380 %
Dermal Systemic Exposure in Cosmetic Products:
 0.0010 mg/kg/day (IFRA, 2002)
 
Recommendation for plum damascone (high alpha) flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):39872-57-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6438067
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WGK Germany:2
(E)-1-(2,4,4-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
Chemidplus:0039872576
 
References:
 (E)-1-(2,4,4-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:39872-57-6
Pubchem (cid):6438067
Pubchem (sid):135073936
 
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):Search
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-one
FL/FR
aldehydic
aldehydic
3-
methyl-4-hexyl oxybutyraldehyde
FR
balsamic
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
guaiyl butyrate
FR
caramellic
maltyl isobutyrate
FL/FR
citrus
(R)-
citronellyl nitrile
FR
citronitrile (Symrise)
FR
2-
heptanol
FL/FR
ethereal
iso
valeraldehyde propylene glycol acetal
FL/FR
fatty
butyl undecylenate
FL/FR
4-
ethyl octanoic acid
FL/FR
fermented
methyl decanoate
FL/FR
floral
acetal 318
FR
iso
amyl angelate
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
benzyl acetate
FL/FR
benzyl acetoacetate
FL/FR
benzyl formate
FL/FR
benzyl isobutyrate
FL/FR
blue lagoon fragrance
FR
citronellyl acetate
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl butyrate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
3-
cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
FR
cymbopogon validus leaf oil
FR
beta-
damascenone
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
3,6-
dimethyl-3-octyl acetate
FR
ethyl anthranilate
FL/FR
ethyl ethyl anthranilate
FL/FR
eucalyptus macarthurii oil
FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
geranyl propionate
FL/FR
hibiscus fragrance
FR
ionone mixed isomers
FL/FR
jasmin cyclopentanone
FR
iso
jasmone
FL/FR
linalyl butyrate
FL/FR
magnolia specialty
FR
menthadienyl formate
FR
ortho-
methoxybenzyl ethyl ether
FR
methoxymelonal
FL/FR
1-(2-
methyl allyl oxy)-3-methoxy-3-methyl-1-butane
FR
para-
methyl benzyl acetate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
methyl ionyl acetate
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
pink
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower concrete
FR
3-
nonanon-1-yl acetate
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
osmanthus absolute replacer
FR
osmanthus concrete
FL/FR
petitgrain lemon oil
FL/FR
petitgrain mandarin oil
FL/FR
phenethyl acetate
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
plum damascone
FR
iso
propyl benzoate
FL/FR
rhodinyl butyrate
FL/FR
rose undecene
FR
souroubea specialty
FR
star fruit oil cuba
FL/FR
styralyl propionate
FL/FR
terpinyl valerate
FL/FR
tetrahydroionyl acetate
FR
fruity
allyl benzoate
FR
iso
amyl propionate
FL/FR
apricot essence
FL/FR
apricot isobutyrate
FR
benzaldehyde / methyl anthranilate schiff's base
FR
benzyl propionate
FL/FR
benzyl valerate
FL/FR
berry hexanoate
FR
butyl 2-naphthyl ether
FL/FR
iso
butyl anthranilate
FL/FR
iso
butyl furyl propionate
FL/FR
citronellyl isobutyrate
FL/FR
beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
(E)-beta-
damascone
FL/FR
(R)-gamma-
dodecalactone
FL/FR
eriocephalus punctulatus flower oil
FR
ethyl levulinate
FL/FR
ginsene
FR
heptyl isobutyrate
FL/FR
linalool oxide acetates
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl bicycloheptenyl methyloxirane carboxylate
FR
methyl isobutyrate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
myrascone
FR
2-
nonanone propylene glycol acetal
FL/FR
alpha-
ocimene
FL/FR
peach nitrile
FR
propyl isobutyrate
FL/FR
rhubarb pyran
FR
sambucus canadensis fruit absolute
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
(R)-
styralyl acetate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
tropical indene
FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
cis-
woody acetate
FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
hexoxyacetaldehyde dimethyl acetal
FR
magnolia flower oil CO2 extract
FL/FR
1-
penten-3-ol
FL/FR
1-[(3aS,7aR)-3a,4,7,7a-
tetrahydro-1H-inden-6-yl]ethanone
FR
herbal
chamomile isobutyrate
FR
chamomile propionate
FR
chamomile valerate
FR
clary propyl acetate
FR
geranium cyclohexane
FR
methyl cyclogeranate (Firmenich)
FR
tagete oil madagascar
FL/FR
viridiflorol
FL/FR
medicinal
ortho-
cresyl acetate
FL/FR
powdery
alpha-
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
spicy
para-
anisyl formate
FL/FR
spicy acetoacetate
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
passiflora acetate
FL/FR
tropical
beta-
cyclocitral
FL/FR
triflaige A
FR
tropical 3-thiobutyrate
FL/FR
waxy
dihydrocitronellyl acetate
FL/FR
(E)-
methyl geranate
FL/FR
phytyl acetate
FL/FR
woody
2-
decalinyl acetate
FR
melozol acetate
FR
rhubarb oxirane
FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
iso
amyl 3-methyl thiopropionate
FL
iso
amyl angelate
FL/FR
benzyl valerate
FL/FR
butyl 2-naphthyl ether
FL/FR
2-
butyl thiophene
FL
ortho-
cresyl acetate
FL/FR
2,4-
difurfuryl furan
FL
dihydrocitronellyl acetate
FL/FR
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-one
FL/FR
(R)-gamma-
dodecalactone
FL/FR
ethyl 3-octenoate
FL
ethyl ethyl anthranilate
FL/FR
ionone mixed isomers
FL/FR
linalool oxide acetates
FL/FR
magnolia flower oil CO2 extract
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
(E)-
methyl geranate
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
2-
nonanone propylene glycol acetal
FL/FR
alpha-
ocimene
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
phytyl acetate
FL/FR
iso
propyl benzoate
FL/FR
(R)-
styralyl acetate
FL/FR
viridiflorol
FL/FR
iso
amyl 3-(2-furan) propionate
FL/FR
benzyl acetoacetate
FL/FR
iso
butyl furyl propionate
FL/FR
beta-
damascone
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
berry
heptyl isobutyrate
FL/FR
burnt
ethyl 2-furoate
FL
cheesy
methyl ketones
FL
citrus
petitgrain lemon oil
FL/FR
petitgrain mandarin oil
FL/FR
styralyl propionate
FL/FR
ethereal
methyl isobutyrate
FL/FR
fatty
4-
ethyl octanoic acid
FL/FR
methyl decanoate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
floral
citronellyl acetate
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
linalyl butyrate
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
rhodinyl butyrate
FL/FR
tropical ionone
FL/FR
fruity
iso
amyl propionate
FL/FR
apricot essence
FL/FR
benzyl acetate
FL/FR
benzyl formate
FL/FR
benzyl isobutyrate
FL/FR
benzyl propionate
FL/FR
iso
butyl anthranilate
FL/FR
citronellyl butyrate
FL/FR
citronellyl isobutyrate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
ethyl anthranilate
FL/FR
ethyl levulinate
FL/FR
2-
heptanol
FL/FR
2-
hexyl-4-acetoxytetrahydrofuran
FL
methoxymelonal
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl 4-phenyl butyrate
FL
para-
methyl benzyl acetate
FL/FR
alpha-
methyl ionone
FL/FR
3-
nonanon-1-yl acetate
FL/FR
osmanthus concrete
FL/FR
phenethyl isovalerate
FL/FR
2-
phenyl-4-pentenal
FL
propyl isobutyrate
FL/FR
sambucus canadensis fruit absolute
FL/FR
star fruit oil cuba
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
tagete oil madagascar
FL/FR
terpinyl valerate
FL/FR
4-(para-
tolyl)-2-butanone
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
cassis pentanone
FL/FR
(E)-
citronellyl tiglate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
iso
jasmone
FL/FR
1-
penten-3-ol
FL/FR
honey
phenethyl acetate
FL/FR
phenethyl isobutyrate
FL/FR
jammy
maltyl isobutyrate
FL/FR
spicy
para-
anisyl formate
FL/FR
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
spicy acetoacetate
FL/FR
sulfurous
buchu mercaptan
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
beta-
cyclocitral
FL/FR
3-
mercaptohexyl acetate
FL/FR
passiflora acetate
FL/FR
vegetable
2-
octen-4-one
FL/FR
waxy
butyl undecylenate
FL/FR
geranyl propionate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
woody
beta-
damascenone
FL/FR
methyl ionyl acetate
FL/FR
 
Potential Uses:
FRfloral
FRplum
FRrose
FRtobacco
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-buten-1-one, 1-(2,4,4-trimethyl-2-cyclohexen-1-yl)-, (2E)-
2-buten-1-one, 1-(2,4,4-trimethyl-2-cyclohexen-1-yl)-, (E)-
isodamascone (high alpha) (Symrise)
isodamascone (Symrise)
 plum damascone (high alpha)
(E)-rose ketone-5
(E)-1-(2,4,4-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
(E)-(2,4,4-trimethyl-2-cyclohexenyl)-2-butenone
trans-(2,4,4-trimethyl-2-cyclohexenyl)-2-butenone
(2E)-1-(2,4,4-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
(E)-1-(2,4,4-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
 
 
Notes:
None found
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