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
FDA UNII: Search
Nikkaji Web:J308.518J
XlogP3-AA:3.30 (est)
Molecular Weight:192.30160000
Formula:C13 H20 O
NMR Predictor:Predict (works with chrome, Edge 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 mmHg @ 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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
IFRA Critical Effect:
Dermal sensitization
 View the IFRA Standard
View IFRA Standards Library for complete information.
Please review Amendment 49 IFRA documentation for complete information.
IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%):
Category 1: Products applied to the lips
0.0077 %
Category 2: Products applied to the axillae
0.0023 %
Category 3: Products applied to the face/body using fingertips
0.046 %
Category 4: Products related to fine fragrance
0.043 %
 Category 5: Products applied to the face and body using the hands (palms), primarily leave-on
Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on
0.011 %
Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on
0.011 %
Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on
0.011 %
Category 5D: Baby Creams, baby Oils and baby talc
0.011 %
Category 6: Products with oral and lip exposure
0.025 %
 Category 7: Products applied to the hair with some hand contact
Category 7A: Rinse-off products applied to the hair with some hand contact
0.088 %
Category 7B: Leave-on products applied to the hair with some hand contact
0.088 %
Category 8: Products with significant anogenital exposure
0.0045 %
Category 9: Products with body and hand exposure, primarily rinse off
0.084 %
 Category 10: Household care products with mostly hand contact
Category 10A: Household care excluding aerosol products (excluding aerosol/spray products)
0.30 %
Category 10B: Household aerosol/spray products
0.30 %
 Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate
Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
0.17 %
Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
0.17 %
Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin
No Restriction
 Notes:
IFRA FLAVOR REQUIREMENTS:

Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.

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 2011 (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
(Z)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
(E)-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
(Z)-beta-
damascone
FL/FR
(E)-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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