2-methyl undecanal (aldehyde C-12 mna)
 
Notes:
Used as a food additive [EAFUS]
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2-methylundecanal (Click)
CAS Number: 110-41-8Picture of molecule
Other: 135026-96-9
ECHA EINECS - REACH Pre-Reg: 203-765-0
FDA UNII:S94QNS2VY5
Nikkaji Web: J127.230F
Beilstein Number: 1758291
MDL: MFCD00006990
FEMA Number: 2749
CoE Number: 2010
XlogP3-AA: 4.90 (est)
Molecular Weight: 184.32248000
Formula: C12 H24 O
NMR Predictor: Predict (works with chrome or firefox)
 (S)-2-methyl undecanal
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring: 275  2-methylundecanal
Flavis Number: 05.077 (Old)
DG SANTE Food Flavourings: 05.077  2-methylundecanal
FEMA Number: 2749  2-methylundecanal
FDA Mainterm: 2-METHYLUNDECANAL
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: Yes
Specific Gravity: 0.82300 to 0.83100 @  20.00 °C.
Pounds per Gallon - est.: 6.856 to 6.923
Boiling Point: 171.00 °C. @ 760.00 mm Hg
Boiling Point: 233.00 °C. @ 760.00 mm Hg
Acid Value: 2.00 max. KOH/g
Vapor Pressure: 1.428000 mm/Hg @ 25.00 °C. (est)
Vapor Density: >1 ( Air = 1 )
Flash Point: 200.00 °F. TCC ( 93.33 °C. )
logP (o/w): 4.834 (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. store under nitrogen.
Storage: store under nitrogen.
Soluble in:
 alcohol
 dipropylene glycol
 fixed oils
 paraffin oil
 water, 5.372 mg/L @ 25 °C (est)
Insoluble in:
 water
 glycerin
Stability:
 alkalis
 amines
 ammonia
 antiperspirant
 cream
 deodorant spray
 detergent powder
 hair spray
 household product
 non-discoloring in most media
 shampoo
 soap
 talcum powder
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Organoleptic Properties:
Odor Type: aldehydic
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
Odor Description:
at 1.00 % in dipropylene glycol. 
fresh amber aldehydic moss citrus tuberose metallic waxy coumarinic
Substantivity: 308 hour(s) at 100.00 %
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Safety Information:
Most important hazard(s):
N - Dangerous for the environment.
  R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Human Experience: 4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
  oral-rat LD50  > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 11, Pg. 485, 1973.

Dermal Toxicity:
  skin-rabbit LD50 > 10000 mg/kg
Food and Cosmetics Toxicology. Vol. 11, Pg. 485, 1973.

Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 2-methyl undecanal (aldehyde C-12 mna) usage levels up to:
  2.0000 % in the fragrance concentrate.
 
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: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: -1.30000
beverages(nonalcoholic): -0.31000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -0.20000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.11000
fruit ices: -0.11000
gelatins / puddings: 0.500002.50000
granulated sugar: --
gravies: --
hard candy: -0.94000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -0.33000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 110-41-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61031
National Institute of Allergy and Infectious Diseases: Data
WGK Germany:1
 2-methylundecanal
Chemidplus: 0000110418
RTECS: YQ1509000 for cas# 110-41-8
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References:
Leffingwell: Chirality or Article
 2-methylundecanal
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 110-41-8
Pubchem (cid): 61031
Pubchem (sid): 135018442
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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
FDA Everything Added to Food in the United States (EAFUS): View
CHEMBL: View
HMDB (The Human Metabolome Database): HMDB31734
FooDB: FDB008401
Export Tariff Code: 2912.30.0000
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
 
For Odor
No odor group found for these
6-methyl-2-heptanol 
 satinaldehydeFL/FR
aldehydic
 decanal (aldehyde C-10)FL/FR
 dodecanal (aldehyde C-12 lauric)FL/FR
 fresh carbaldehydeFR
2-methyl undecanal dimethyl acetalFR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
amber
 ambroxanFL/FR
 angelica root oilFL/FR
animal
 costus valerolactoneFR
balsamic
 amyris wood oilFL/FR
siam benzoin resinoidFL/FR
 benzyl salicylateFL/FR
 ethyl cinnamateFL/FR
 fir balsam absoluteFR
3-phenyl propyl alcoholFL/FR
berry
 raspberry ketone acetateFL/FR
buttery
 butyl butyryl lactateFL/FR
caramellic
 immortelle absoluteFL/FR
citrus
 citronellyl nitrileFR
(E)-4-decenalFL/FR
 geranyl nitrileCS
coconut
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
delta-undecalactoneFL/FR
fatty
(Z)-dairy lactoneFL/FR
 decanolFL/FR
(E)-2-decenalFL/FR
 ethyl undecylenateFL/FR
delta-juniper lactoneFL/FR
4-methyl octanoic acidFL/FR
floral
isoamyl salicylateFL/FR
para-cresyl laurateFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl octanolFL/FR
 floral pyranolFR
 jasmin pyranoneFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 nonanolFL/FR
 ocean propanalFL/FR
 tuberolideFL/FR
fresh
10-undecen-1-yl acetateFL/FR
fruity
 decyl butyrateFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
green
 cilantro leaf oilFL/FR
 ethyl (E)-4-decenoateFL/FR
 heptanal dimethyl acetalFL/FR
 heptyl formateFL/FR
herbal
2-dodecenalFL/FR
melon
 watermelon ketoneFR
mossy
 veramoss (IFF)FR
musk
isoambrettolideFL/FR
tonka
 tonka bean absoluteFR
waxy
isoamyl decanoateFL/FR
1-dodecanolFL/FR
 ethyl laurateFL/FR
 heptyl octanoateFL/FR
 myristic acidFL/FR
 nonanoic acidFL/FR
 tetradecanalFL/FR
woody
 cistus twig/leaf oilFL/FR
 guaiacwood oilFL/FR
 methyl cedryl ketoneFL/FR
 patchouli ethanoneFR
 santallFR
 
For Flavor
 
No flavor group found for these
 cistus twig/leaf oilFL/FR
 epoxy-2-decenalFL
balsamic
siam benzoin resinoidFL/FR
 benzyl salicylateFL/FR
 ethyl cinnamateFL/FR
berry
 raspberry ketone acetateFL/FR
bitter
 glyceryl tributyrateFL
citrus
 cilantro leaf oilFL/FR
laevo-linaloolFL/FR
coconut
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
creamy
 butyl butyryl lactateFL/FR
 jasmin pyranoneFL/FR
delta-undecalactoneFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
fatty
(Z)-dairy lactoneFL/FR
 dimethyl octanolFL/FR
(E,E)-2,4-dodecadienalFL
2-dodecenalFL/FR
 ethyl (E)-4-decenoateFL/FR
 ethyl undecylenateFL/FR
 heptyl formateFL/FR
delta-juniper lactoneFL/FR
4-methyl octanoic acidFL/FR
 nonanoic acidFL/FR
 tetradecanalFL/FR
(E,E)-2,4-undecadienalFL
10-undecenal (aldehyde C-11 undecylenic)FL/FR
floral
 ocean propanalFL/FR
 satinaldehydeFL/FR
fruity
 decyl butyrateFL/FR
 dimethyl anthranilateFL/FR
greasy
10-undecen-1-yl acetateFL/FR
green
isoamyl salicylateFL/FR
 angelica root oilFL/FR
 heptanal dimethyl acetalFL/FR
 immortelle absoluteFL/FR
 linalool oxideFL/FR
medicinal
 dimethyl benzyl carbinolFL/FR
musk
isoambrettolideFL/FR
ripe
(E)-4-decenalFL/FR
soapy
 dodecanal (aldehyde C-12 lauric)FL/FR
1-dodecanolFL/FR
spicy
3-phenyl propyl alcoholFL/FR
waxy
isoamyl decanoateFL/FR
para-cresyl laurateFL/FR
 decanal (aldehyde C-10)FL/FR
 decanolFL/FR
(E)-2-decenalFL/FR
 ethyl laurateFL/FR
 heptyl octanoateFL/FR
6-methyl-2-heptanol 
 myristic acidFL/FR
 nonanolFL/FR
 octyl 2-furoateFL
 tuberolideFL/FR
woody
 ambroxanFL/FR
 amyris wood oilFL/FR
 guaiacwood oilFL/FR
 methyl cedryl ketoneFL/FR
 
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Potential Uses:
 acacia cassie farnesianaFR
 aimant 
 aldehydicFR
 amberFR
 amour-amour 
 apricotFR
 arpege 
 bergamotFR
 cedarFR
 chanel #5 
 christmas blendsFR
 chypreFR
 cinq fleurs forvil 
 citrusFR
 coconutFR
 cologneFR
 cyclamenFR
 fir 
 fir balsamFR
 fir needle pine needleFL/FR
 gardeniaFR
 hay new mown hay foin coupeFR
 herbalFR
 honey mielFR
 honeysuckle chevrefeuilleFR
 incenseFR
 jasminFR
 leather russianFR
 lemonFR
 linden blossom limeflower tilleulFR
 mandarinFR
 muskFR
 my sin 
 myrrhFR
 oakmoss mousse de chene mossFR
 orangeFR
 orange blossomFR
 orchidFR
 peachFR
 pompeia 
 rain springFR
 rive gauche 
 rochas 
 sandalwoodFR
 scandal 
 sweet peaFR
 tide 
 tonka beanFR
 tuberoseFR
 violetFR
 white linen 
 woodyFR
 zibeline 
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Occurrence (nature, food, other): note
 kumquat oil
Search Trop  Picture
 rue
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Synonyms:
 aldehyde C 12 MNA pure
 aldehyde C-12 M.N.A.
 aldehyde C-12 mna
 aldehyde C-12 MNA FCC
 aldehyde C12 MNA
 aldehyde M.N.A.
 aldehyde MNA
2-methyl hendecanal
 methyl N-nonyl acetaldehyde
 methyl N-nonyl acetic aldehyde
 methyl nonyl acetaldehyde
 methyl nonyl acetic aldehyde
2-methyl undecanal (aldehyde C-12 mna)
2-methyl undecanal MNA
2-methyl-1-undecanal
 methyl-N-nonyl acetaldehyde
 methyl-N-nonylacetaldehyde
2-methylhendecanal
 methylnonylacetaldehyde
 methylnonylacetic aldehyde
2-methylundecanal
 undecanal, 2-methyl-
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