(E)-beta-damascenone
2,6,6-trimethyl-1-trans-crotonoyl-1,3-cyclohexadiene
 
Notes:
from ipomoea pes-caprea. From Rosa damascena and many other sources
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(E)-1-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)but-2-en-1-one (Click)
CAS Number: 23726-93-4Picture of molecule
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 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
IBM Patents: Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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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 mm/Hg @ 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)
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
 apple  rose  honey  tobacco  sweet  
Odor Description:
at 1.00 % in dipropylene glycol. 
apple rose honey tobacco sweet
  
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Cosmetic Information:
None found
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Suppliers:
 None found
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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
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Safety in Use Information:
Category: flavor 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.

 
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Safety References:
EPI System: View
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
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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
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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
CHEBI: View
HMDB (The Human Metabolome Database): HMDB36572
FooDB: FDB015480
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
 floral 
 fruit 
 gardenia 
 rose 
 tobacco 
 tropical 
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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  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  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
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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
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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.
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