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

plum damascone
isodamascone (standard)

Supplier Sponsors

Name:1-(2,4,4-trimethyl-1-cyclohex-2-enyl)but-2-en-1-one
CAS Number: 70266-48-7Picture of molecule3D/inchi
Nikkaji Web:J308.518J
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
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: 90.00 to 100.00 sum of isomers
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: floral
Odor Strength:high ,
recommend smelling in a 10.00 % solution or less
Substantivity:128 hour(s) at 100.00 %
floral plum rose
Odor Description:at 10.00 % in dipropylene glycol. floral plum rose
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Associate Allied Chemicals
Iso Damascone
About
 
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

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: 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:
  0.0200 %
Dermal Systemic Exposure in Cosmetic Products:
 0.0005 mg/kg/day (IFRA, 2002)
 
Recommendation for plum damascone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):70266-48-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6438067
National Institute of Allergy and Infectious Diseases:Data
1-(2,4,4-trimethyl-1-cyclohex-2-enyl)but-2-en-1-one
Chemidplus:0033673711
 
References:
 1-(2,4,4-trimethyl-1-cyclohex-2-enyl)but-2-en-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:70266-48-7
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
balsamic
balsamic
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
guaiyl butyrate
FR
caramellic
maltyl isobutyrate
FL/FR
citrus
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
citronellyl acetate
FL/FR
citronellyl butyrate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
beta-
damascenone
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
geranyl propionate
FL/FR
menthadienyl formate
FR
ortho-
methoxybenzyl ethyl ether
FR
methoxymelonal
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-
nonanon-1-yl acetate
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
petitgrain lemon 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
iso
propyl benzoate
FL/FR
rose undecene
FR
star fruit oil cuba
FL/FR
terpinyl valerate
FL/FR
tetrahydroionyl acetate
FR
fruity
iso
amyl propionate
FL/FR
apricot isobutyrate
FR
benzaldehyde / methyl anthranilate schiff's base
FR
berry hexanoate
FR
iso
butyl anthranilate
FL/FR
iso
butyl furyl propionate
FL/FR
citronellyl isobutyrate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
ethyl levulinate
FL/FR
heptyl isobutyrate
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl isobutyrate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
plum damascone (high alpha)
FR
propyl isobutyrate
FL/FR
rhubarb pyran
FR
4-(para-
tolyl)-2-butanone
FL/FR
tropical indene
FR
tropical ionone
FL/FR
tropical thiazole
FL/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
1-
penten-3-ol
FL/FR
herbal
chamomile isobutyrate
FR
chamomile propionate
FR
chamomile valerate
FR
clary propyl acetate
FR
methyl cyclogeranate (Firmenich)
FR
viridiflorol
FL/FR
powdery
alpha-
methyl ionone
FL/FR
spicy
para-
anisyl formate
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
passiflora acetate
FL/FR
tropical
tropical 3-thiobutyrate
FL/FR
woody
2-
decalinyl acetate
FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
iso
amyl angelate
FL/FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-one
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
iso
propyl benzoate
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
citrus
petitgrain lemon oil
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
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geraniol
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
tropical ionone
FL/FR
fruity
iso
amyl propionate
FL/FR
benzyl acetate
FL/FR
benzyl formate
FL/FR
benzyl isobutyrate
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 levulinate
FL/FR
2-
heptanol
FL/FR
methoxymelonal
FL/FR
methyl (Z)-3-hexenoate
FL/FR
alpha-
methyl ionone
FL/FR
3-
nonanon-1-yl acetate
FL/FR
phenethyl isovalerate
FL/FR
propyl isobutyrate
FL/FR
star fruit oil cuba
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
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
sulfurous
buchu mercaptan
FL/FR
tropical 3-thiobutyrate
FL/FR
tropical
alpha-
amyl cinnamaldehyde
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:
isodamascone (standard)
1-(2,4,4-trimethyl-1-cyclohex-2-enyl)but-2-en-1-one
1-(2,4,4-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
 

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