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

2-undecenal
3-octylacrolein

Sponsors

CAS Number: 2463-77-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:219-564-6
FDA UNII:090E982ABR
CoE Number:11827
XlogP3-AA:4.20 (est)
Molecular Weight:168.27960000
Formula:C11 H20 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
Pubchem Patents:Search
JECFA Food Flavoring:1366 2-undecenal
FLAVIS Number:05.109 (Old)
DG SANTE Food Flavourings:05.109 2-undecenal
FEMA Number:3423 2-undecenal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-UNDECENAL
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.83700 to 0.84700 @ 25.00 °C.
Pounds per Gallon - (est).: 6.965 to 7.048
Refractive Index:1.45200 to 1.45900 @ 20.00 °C.
Boiling Point: 115.00 °C. @ 10.00 mm Hg
Boiling Point: 244.00 to 245.00 °C. @ 760.00 mm Hg
Acid Value: 6.00 max. KOH/g
Vapor Pressure:0.029700 mm/Hg @ 25.00 °C.
Flash Point: 227.00 °F. TCC ( 108.33 °C. )
logP (o/w): 4.338 (est)
Soluble in:
 alcohol
 water, 22.27 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
Substantivity: > 48 hour(s) at 100.00 %
fresh fruity orange peel
Odor Description:at 1.00 % in dipropylene glycol. fresh fruity orange peel
Flavor Type: waxy
waxy citrus peel soapy
Taste Description: waxy, citrus peel, slightly soapy
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
2-UNDECENAL (HIGH TRANS) ≥94.0% (trans), Kosher
Odor Description:fresh, fruity, citrus
Powerful and diffusive. Useful in Rose, Lavender, Clary sage, and Opopanax compositions.
Taste Description:Waxy, citrus peel, slightly soapy
Citrus peel notes, especially orange and grapefruit.
Alfrebro
trans-2-UNDECENAL NATURAL
Odor Description:Powerful, Fresh, Aldehydic
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Alfrebro
trans-2-UNDECENAL NATURAL 10% IN ETHYL ACETATE
Odor: Powerful, Aldehydic, Fruity, Citrus
Alfrebro
trans-2-UNDECENAL NATURAL 10% IN MTCG
Odor: Powerful, Aldehydic, Fruity, Citrus
Alfrebro
trans-2-UNDECENAL NATURAL
Odor: Powerful, Fresh, Aldehydic
Bedoukian Research
2-UNDECENAL (HIGH TRANS)
≥94.0% (trans), Kosher
Odor: fresh, fruity, citrus
Use: Powerful and diffusive. Useful in Rose, Lavender, Clary sage, and Opopanax compositions.
Flavor: Waxy, citrus peel, slightly soapy
Citrus peel notes, especially orange and grapefruit.
BOC Sciences
For experimental / research use only.
2-UNDECENAL (HIGH TRANS) 98.0% (sum of isomers
M&U International
2-UNDECENAL (HIGH TRANS)
Penta International
trans-2-UNDECENAL, Kosher
Reincke & Fichtner
2-Undecenal
Shanghai Vigen Fine Chemical
trans-2-Undecenal
Synerzine
2-Undecenal
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
 
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
Recommendation for 2-undecenal usage levels up to:
  0.5000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.33 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.40 (μg/capita/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 7
 average usual ppmaverage maximum ppm
baked goods: -0.06000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -0.02000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -0.05000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.05000
milk products: -0.05000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -0.05000
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf

EPI System: View
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):2463-77-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62447
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
undec-2-enal
Chemidplus:0002463776
 
References:
 undec-2-enal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2463-77-6
Pubchem (cid):62447
Pubchem (sid):135019145
Flavornet:2463-77-6
Pherobase:View
 
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
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB40247
FooDB:FDB019962
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
decanal (aldehyde C-10)
FL/FR
dodecanal (aldehyde C-12 lauric)
FL/FR
nonanal (aldehyde C-9)
FL/FR
octanal (aldehyde C-8)
FL/FR
tridecanal
FL/FR
undecanal
FL/FR
anisic
para-
anisaldehyde
FL/FR
balsamic
ethyl cinnamate
FL/FR
fir needle oil siberia
FL/FR
camphoreous
beta-homo
cyclocitral
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
citral
FL/FR
citronella oil ceylon
FL/FR
2-
dodecanone
FL/FR
lemon oil c.p. california
FL/FR
tetrahydrocitral
FL/FR
ethereal
iso
propyl formate
FL/FR
propyl formate
FL/FR
fatty
coconut absolute
FL/FR
decanol
FL/FR
floral
citronellal
FL/FR
citronellyl propionate
FL/FR
dimethyl anthranilate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geraniol
FL/FR
geranyl acetate
FL/FR
laevo-
linalool
FL/FR
linalool
FL/FR
alpha-
naphthyl methyl ketone
FL/FR
nerol
FL/FR
neryl acetate
FL/FR
nonanol
FL/FR
phenethyl acetate
FL/FR
phenethyl alcohol
FL/FR
phenethyl isovalerate
FL/FR
fruity
iso
amyl acetate
FL/FR
iso
amyl butyrate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl propionate
FL/FR
benzyl propionate
FL/FR
butyl isobutyrate
FL/FR
ethyl heptanoate
FL/FR
geranyl butyrate
FL/FR
hexyl formate
FL/FR
methyl anthranilate
FL/FR
methyl dimethyl anthranilate
FL/FR
octyl formate
FL/FR
iso
propyl butyrate
FL/FR
propyl isovalerate
FL/FR
green
iso
amyl formate
FL/FR
diphenyl methane
FL/FR
heptyl acetate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
herbal
2-
dodecenal
FL/FR
linalyl acetate
FL/FR
linalyl octanoate
FL/FR
rue oil
FL/FR
rue oil cuba
FL/FR
alpha-
terpinyl acetate
FL/FR
spicy
cinnamaldehyde
FL/FR
cinnamyl propionate
FL/FR
cuminaldehyde
FL/FR
terpenic
frankincense oil
FL/FR
alpha-
terpineol
FL/FR
waxy
decyl acetate
FL/FR
dodecyl acetate
FL/FR
methyl octanoate
FL/FR
octanol
FL/FR
(E)-2-
tridecenal
FL/FR
For Flavor
No flavor group found for these
methyl dimethyl anthranilate
FL/FR
alpha-
naphthyl methyl ketone
FL/FR
propyl isovalerate
FL/FR
tetrahydrocitral
FL/FR
aldehydic
aldehydic
nonanal (aldehyde C-9)
FL/FR
octanal (aldehyde C-8)
FL/FR
balsamic
ethyl cinnamate
FL/FR
fir needle oil siberia
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
citral
FL/FR
citronella oil ceylon
FL/FR
lemon oil c.p. california
FL/FR
linalool
FL/FR
laevo-
linalool
FL/FR
nerol
FL/FR
alpha-
terpineol
FL/FR
cooling
beta-homo
cyclocitral
FL/FR
creamy
para-
anisaldehyde
FL/FR
fatty
coconut absolute
FL/FR
(E,E)-2,4-
dodecadienal
FL
2-
dodecanone
FL/FR
2-
dodecenal
FL/FR
2,4-
nonadienal
FL
(E,E)-2,4-
nonadienal
FL
floral
cinnamyl propionate
FL/FR
citronellal
FL/FR
citronellyl propionate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geraniol
FL/FR
linalyl acetate
FL/FR
neryl acetate
FL/FR
phenethyl alcohol
FL/FR
fruity
iso
amyl acetate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl propionate
FL/FR
benzyl propionate
FL/FR
butyl isobutyrate
FL/FR
dimethyl anthranilate
FL/FR
ethyl heptanoate
FL/FR
geranyl butyrate
FL/FR
linalyl octanoate
FL/FR
methyl anthranilate
FL/FR
phenethyl isovalerate
FL/FR
iso
propyl butyrate
FL/FR
propyl formate
FL/FR
iso
propyl formate
FL/FR
green
iso
amyl formate
FL/FR
diphenyl methane
FL/FR
geranyl acetate
FL/FR
heptyl acetate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl formate
FL/FR
methyl octanoate
FL/FR
octyl formate
FL/FR
herbal
rue oil
FL/FR
rue oil cuba
FL/FR
honey
phenethyl acetate
FL/FR
meaty
12-
methyl tridecanal
FL
pungent
acetaldehyde
FL
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
spicy
cinnamaldehyde
FL/FR
cuminaldehyde
FL/FR
waxy
iso
amyl butyrate
FL/FR
decanal (aldehyde C-10)
FL/FR
decanol
FL/FR
decyl acetate
FL/FR
dodecyl acetate
FL/FR
nonanol
FL/FR
octanol
FL/FR
tridecanal
FL/FR
(E)-2-
tridecenal
FL/FR
undecanal
FL/FR
woody
frankincense oil
FL/FR
alpha-
terpinyl acetate
FL/FR
 
Potential Uses:
FRcitrus
FRcranberry
FRcream
FLfat
FRfruit
FRhuckleberry
FLmilk
FRorange
 
Occurrence (nature, food, other):note
 olive oil
Search Trop Picture
 plumcot fruit
Search PMC Picture
 tanacetum balsamita
Search Trop Picture
 walnut english walnut oil
Search Trop Picture
 
Synonyms:
3-octylacrolein
 undec-2-enal
2-undecen-1-al
 undecen-2-al
2-undecenal (high trans)
 

Articles:

PubMed:Product ion distributions for the reactions of NO(+) with some physiologically significant aldehydes obtained using a SRI-TOF-MS instrument.
PubMed:Pharmacological activities of cilantro's aliphatic aldehydes against Leishmania donovani.
PubMed:Exocrine secretions of wheel bugs (Heteroptera: Reduviidae: Arilus spp.): clarification and chemistry.
PubMed:Identification of characteristic flavour precursors from enzymatic hydrolysis-mild thermal oxidation tallow by descriptive sensory analysis and gas chromatography-olfactometry and partial least squares regression.
PubMed:Nematicidal activity of (E,E)-2,4-decadienal and (E)-2-decenal from Ailanthus altissima against Meloidogyne javanica.
PubMed:Exposure to polycyclic aromatic hydrocarbons (PAHs), mutagenic aldehydes and particulate matter during pan frying of beefsteak.
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:Re-evaluation of peroxide value as an indicator of the quality of edible oils.
PubMed:Identification of volatile degradants in formulations containing sesame oil using SPME/GC/MS.
PubMed:Genotoxicity and oxidative stress of the mutagenic compounds formed in fumes of heated soybean oil, sunflower oil and lard.
PubMed:Odorants generated by thermally induced degradation of phospholipids.
PubMed:Mutagenicity and identification of mutagenic compounds of fumes obtained from heating peanut oil.
PubMed:Synthesis of anacardic acids, 6-[8(Z),11(Z)-pentadecadienyl]salicylic acid and 6-[8(Z),11(Z),14-pentadecatrienyl]salicylic acid.
PubMed:Glutathione transferase mimics: micellar catalysis of an enzymic reaction.
PubMed:Fat-borne volatiles and sheepmeat odour.
 
Notes:
Used as a food additive [EAFUS]
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