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

(E)-beta-damascenone
2,6,6-trimethyl-1-trans-crotonoyl-1,3-cyclohexadiene

Supplier Sponsors

Name:(E)-1-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)but-2-en-1-one
CAS Number: 23726-93-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:245-844-2
FDA UNII: U66V25TBO0
Nikkaji Web:J16.558A
XlogP3-AA:3.20 (est)
Molecular Weight:190.28566000
Formula:C13 H18 O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavor 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
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 92.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 274.00 to 276.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.005000 mmHg @ 25.00 °C. (est)
Flash Point: 231.00 °F. TCC ( 110.56 °C. )
logP (o/w): 4.042 (est)
Soluble in:
 alcohol
 water, 12.48 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: fruity
apple rose honey tobacco sweet
Odor Description:at 1.00 % in dipropylene glycol. apple rose honey tobacco sweet
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
beta-Damascenone
Odor: characteristic
Use: A terpenic ketone; odorant in fruits, vegetables, honey, wine and beer.
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavor and 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.

 
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):23726-93-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5366074
National Institute of Allergy and Infectious Diseases:Data
(E)-1-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)but-2-en-1-one
Chemidplus:0023726934
 
References:
 (E)-1-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)but-2-en-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5366074
Pubchem (sid):135019763
Flavornet:23726-93-4
Pherobase:View
 
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
CHEBI:View
HMDB (The Human Metabolome Database):HMDB36572
FooDB:FDB015480
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
For Odor
animal
para-
cresyl phenyl acetate
FL/FR
floral
benzyl phenyl acetate
FL/FR
citronellyl isovalerate
FL/FR
citronellyl phenyl acetate
FL/FR
(Z)-alpha-
damascone
FL/FR
ethyl hydrocinnamate
FL/FR
ethyl phenyl acetate
FL/FR
ethyl safranate
FR
genet concrete
FR
geranyl phenyl acetate
FL/FR
geranyl propionate
FL/FR
linalyl phenyl acetate
FL/FR
neryl phenyl acetate
FR
octyl isovalerate
FL/FR
phenethyl isovalerate
FL/FR
pomarose
FR
rosa alba flower oil CO2 extract
FR
rose carboxylate
FR
fruity
(E)-alpha-
damascone
FL/FR
beta-
damascone
FL/FR
geranyl 2-methyl butyrate
FL/FR
geranyl butyrate
FL/FR
green
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
phenoxyethyl isobutyrate
FL/FR
hay
woodruff absolute
FR
honey
butyl phenyl acetate
FL/FR
phenethyl furoate
FL/FR
phenolic
2'-
hydroxyacetophenone
FL/FR
powdery
dibenzyl ketone
FL/FR
spicy
iso
eugenyl phenyl acetate
FL/FR
tobacco
honey absolute
FL/FR
waxy
dihydrocitronellyl acetate
FL/FR
waxy acetate
FR
For Flavor
No flavor group found for these
capsicum oleoresin
FL
capsicum oleoresin CO2 extract
FL
citronellyl isovalerate
FL/FR
(Z)-alpha-
damascone
FL/FR
dihydrocitronellyl acetate
FL/FR
ethyl hydrocinnamate
FL/FR
geranyl 2-methyl butyrate
FL/FR
linalyl phenyl acetate
FL/FR
octyl isovalerate
FL/FR
phenethyl furoate
FL/FR
beta-
damascone
FL/FR
bitter
bitter
dibenzyl ketone
FL/FR
floral
citronellyl phenyl acetate
FL/FR
geranyl phenyl acetate
FL/FR
fruity
(E)-alpha-
damascone
FL/FR
geranyl butyrate
FL/FR
phenethyl isovalerate
FL/FR
green
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
phenoxyethyl isobutyrate
FL/FR
honey
benzyl phenyl acetate
FL/FR
butyl phenyl acetate
FL/FR
ethyl phenyl acetate
FL/FR
honey absolute
FL/FR
naphthyl
2'-
hydroxyacetophenone
FL/FR
phenolic
para-
cresyl phenyl acetate
FL/FR
spicy
iso
eugenyl phenyl acetate
FL/FR
waxy
geranyl propionate
FL/FR
 
Potential Uses:
FRfloral
FRfruit
FRgardenia
FRrose
FRtobacco
FLtropical
 
Occurrence (nature, food, other):note
 basil shoot oil
Search Trop Picture
 chamomile garden chamomile plant
Search Trop Picture
 chamomile sweet false chamomile plant
Search Trop Picture
 fig leaf
Search Trop Picture
 grape fruit juice
Search Trop Picture
 herniaria incana lam. oil greece @ 2.30%
Data GC Search Trop Picture
 honey buckwheat honey
PbMd Search PMC Picture
 jasminum grandiflorum
Search Trop Picture
 lemon balm shoot
Search Trop Picture
 lilac
Search Trop Picture
 malpighia glabra fruit oil @ 1.20%
Data GC Search Trop Picture
 olive
Search Trop Picture
 orthodon dianthera maxim. oil vietnam @ trace%
Data GC Search Trop Picture
 osmanthus
Search Trop Picture
 popcorn
Search PMC Picture
 star fruit fruit
Search Trop Picture
 tea leaf
Search Trop Picture
 tomato fruit
Search Trop Picture
 witch hazel leaf oil @ trace%
Data GC Search Trop Picture
 
Synonyms:
2-buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2E)-
2-buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)-
(E)-b-damascenone
trans-beta-damascenone
(E)-1-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)but-2-en-1-one
trans-1-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)but-2-en-1-one
2,6,6-trimethyl-1-trans-crotonoyl-1,3-cyclohexadiene
(2E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
(E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
trans-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
(2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
 

Articles:

PubMed:Characterization of the key aroma compounds in two bavarian wheat beers by means of the sensomics approach.
PubMed:Phytochemical and physical-chemical analysis of Polish willow (Salix spp.) honey: identification of the marker compounds.
PubMed:Characterization of the key aroma compounds in Bartlett pear brandies by means of the sensomics concept.
PubMed:Essential oils from the leaves of six medicinal plants of Nigeria.
PubMed:Characterization of the key aroma compounds in rape honey by means of the molecular sensory science concept.
PubMed:Characterization of volatiles and aroma-active compounds in honeybush (Cyclopia subternata) by GC-MS and GC-O analysis.
PubMed:Characterization of odor-active compounds in guava wine.
PubMed:Volatile composition screening of Salix spp. nectar honey: benzenecarboxylic acids, norisoprenoids, terpenes, and others.
PubMed:Characterization of the key aroma compounds in beef and pork vegetable gravies รก la chef by application of the aroma extract dilution analysis.
PubMed:Characterization of the key aroma compounds in an american bourbon whisky by quantitative measurements, aroma recombination, and omission studies.
PubMed:Characterization of the most odor-active compounds in an American Bourbon whisky by application of the aroma extract dilution analysis.
PubMed:Changes in key odorants of raw coffee beans during storage under defined conditions.
PubMed:Characterization of the key aroma compounds in apricots (Prunus armeniaca) by application of the molecular sensory science concept.
PubMed:Characterization of (E,E,Z)-2,4,6-nonatrienal as a character impact aroma compound of oat flakes.
PubMed:Identification based on quantitative measurements and aroma recombination of the character impact odorants in a Bavarian Pilsner-type beer.
PubMed:Identification of potent odorants formed during the preparation of extruded potato snacks.
PubMed:Character impact odorants of the apple cultivars Elstar and Cox Orange.
PubMed:Identification and quantification of aroma-active components that contribute to the distinct malty flavor of buckwheat honey.
PubMed:Potent odorants of raw Arabica coffee. Their changes during roasting.
PubMed:Identification of character impact odorants of different soybean lecithins.
 
Notes:
from ipomoea pes-caprea. From Rosa damascena and many other sources
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