undecanoic acid
undecoic acid
 
Notes:
Blends well with aldehydes. Flavouring ingredient. Present in butter and coconut Undecylic acid (systematically named undecanoic acid) is a naturally-occurring carboxylic acid with chemical formula CH3(CH2)9COOH. (Wikipedia)
  • Penta International
    • Penta International Corporation
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      Product(s):
      21-27000 UNDECANOIC ACID
       
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      Product(s):
      W324507 Undecanoic acid, ≥97%, FG
      SDS
       
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      Product(s):
      W217 Undecanoic Acid
       
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    • TCI AMERICA
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      Product(s):
      U0004 Undecanoic Acid >98.0%(GC)(T)
       
Synonyms   Articles   Notes   Search
undecanoic acid (Click)
CAS Number: 112-37-8Picture of molecule
ECHA EINECS - REACH Pre-Reg: 203-964-2
FDA UNII: 138ON3IIQG
Nikkaji Web: J1.993C
Beilstein Number: 1759287
MDL: MFCD00002730
CoE Number: 696
XlogP3: 3.70 (est)
Molecular Weight: 186.29474000
Formula: C11 H22 O2
BioActivity Summary: listing
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
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 108  undecanoic acid
Flavis Number: 08.042 (Old)
DG SANTE Food Flavourings: 08.042  undecanoic acid
FEMA Number: 3245  undecanoic acid
FDA Mainterm: UNDECANOIC ACID
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Physical Properties:
Appearance: colorless crystals (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 28.00 to  31.00 °C. @ 760.00 mm Hg
Boiling Point: 228.00 °C. @ 160.00 mm Hg
Boiling Point: 164.00 to  165.00 °C. @ 15.00 mm Hg
Congealing Point: 27.00 °C.
Vapor Pressure: 0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point: > 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 4.420
Soluble in:
 alcohol
 water, 52.2 mg/L @ 30 °C (exp)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: waxy
 
Odor Strength: medium
 
 waxy  creamy  cheesy  fatty  coconut  
Odor Description:
at 100.00 %. 
waxy creamy cheese fatty coconut
 
 waxy  creamy  cheesy  fatty  coconut  
Odor Description:
Waxy, creamy, cheese-like, with a fatty coconut nuance
Mosciano, Gerard P&F 16, No. 6, 43, (1991)
 
 
Flavor Type: waxy
 
 waxy  creamy  cheesy  fatty  dairy  
Taste Description:
at 20.00 ppm.  
Waxy, creamy, cheese-like with a fatty dairy mouthfeel
Mosciano, Gerard P&F 16, No. 6, 43, (1991)
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: antiseborrhoeic agents
cleansing agents
emulsifying agents
masking agents
surfactants
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Suppliers:
Acme Synthetic Chemicals
Undecanoic Acid 98% Min by GC
Nagar Haveli Perfumes & Aromatics
Undecanoic Acid
Odor: Waxy, creamy, cheese-like, with a fatty coconut nuance
PCAS
Undecanoic Acid
Penta International
UNDECANOIC ACID
Santa Cruz Biotechnology
For experimental / research use only.
Undecanoic Acid
Sigma-Aldrich
Undecanoic acid, ≥97%, FG
Odor: oily
Certified Food Grade Products
Synerzine
Undecanoic Acid
TCI AMERICA
For experimental / research use only.
Undecanoic Acid >98.0%(GC)(T)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
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 36 - Wear suitable protective clothing.
 
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:
intravenous-mouse LD50  140 mg/kg
Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for undecanoic acid usage levels up to:
  0.5000 % 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: 4
Click here to view publication 4
 average usual ppmaverage maximum ppm
baked goods: -2.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
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
Cancer Citations: Search
Toxicology Citations: Search
Env. Mutagen Info. Center: Search
NLM Developmental and Reproductive Toxicity: Search
EPA Substance Registry Services (TSCA): 112-37-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 8180
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 1
 undecanoic acid
Chemidplus: 0000112378
EPA/NOAA CAMEO: hazardous materials
RTECS: YQ2275000 for cas# 112-37-8
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References:
 undecanoic acid
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 112-37-8
Pubchem (cid): 8180
Pubchem (sid): 134973165
Flavornet: 112-37-8
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
FDA Everything Added to Food in the United States (EAFUS): View
CHEBI: View
CHEMBL: View
Golm Metabolome Database: Search
Metabolomics Database: Search
KEGG (GenomeNet): C17715
HMDB (The Human Metabolome Database): HMDB00947
FooDB: FDB000700
YMDB (Yeast Metabolome Database): YMDB01800
Export Tariff Code: 2915.90.0000
Typical G.C.
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
acidic
acidic
isobutyric acidFL/FR
 cyclohexyl acetic acidFL/FR
balsamic
 cinnamyl benzoateFL/FR
bready
 coffee furanoneFL/FR
buttery
 acetoinFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
 acetyl propionylFL/FR
 butyl butyryl lactateFL/FR
 butyl octanoateFL/FR
2,3-heptane dioneFL/FR
3,4-hexane dioneFL/FR
caramellic
alpha,alpha-dimethyl anisyl acetoneFL/FR
cheesy
 butyric acidFL/FR
2-methyl hexanoic acidFL/FR
2-methyl valeric acidFL/FR
(R)-gamma-nonalactoneFL/FR
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
delta-octalactoneFL/FR
delta-undecalactoneFL/FR
creamy
 creamy lactoneFL/FR
 waxy lactoneFL/FR
fatty
 butter estersFL/FR
 butyl undecylenateFL/FR
(Z)-dairy lactoneFL/FR
(S)-gamma-heptalactone 
 lauric acidFL/FR
4-methyl octanoic acidFL/FR
 octanoic acidFL/FR
floral
 benzyl lactateFL/FR
 jasmin pyranoneFL/FR
 linalyl butyrateFL/FR
fruity
 acetoin acetateFL/FR
gamma-decalactoneFL/FR
 ethyl lactateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 prenyl isobutyrateFL/FR
2-undecanoneFL/FR
green
3-heptanoneFL/FR
(Z)-4-heptenalFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexenalFL/FR
mushroom
1-octen-3-yl butyrateFL/FR
musk
isoambrettolideFL/FR
nutty
2-ethyl pyrazineFL/FR
oily
 butter acidsFL/FR
soapy
 ethyl undecanoateFL/FR
sulfurous
 methyl mercaptanFL/FR
tropical
delta-dodecalactoneFL/FR
waxy
9-decenoic acidFL/FR
 ethyl myristateFL/FR
2-methyl heptanoic acidFL/FR
 methyl laurateFL/FR
 myristic acidFL/FR
 octyl isobutyrateFL/FR
 palmitic acidFR
delta-tetradecalactoneFL/FR
 
For Flavor
 
No flavor group found for these
 benzyl lactateFL/FR
 butyl octanoateFL/FR
 cinnamyl benzoateFL/FR
6-decenoic acidFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
2,4-heptadien-1-olFL
(E,E)-2,4-heptadien-1-olFL
(S)-gamma-heptalactone 
 lauric acidFL/FR
S-methyl 4-methyl pentane thioateFL
5-methyl hexanoic acidFL
3-(methyl thio) hexanalFL
(R)-gamma-nonalactoneFL/FR
 prenyl isobutyrateFL/FR
 sodium 4-methyl-2-oxovalerateFL
acidic
isobutyric acidFL/FR
(E)-2-hexenoic acidFL
alliaceous
3-tetrahydrothiophenoneFL
bitter
 glyceryl tributyrateFL
buttery
 butyroinFL
 diacetylFL
2,3-heptane dioneFL/FR
3,4-hexane dioneFL/FR
2-methyl valeric acidFL/FR
(E)-2-pentenoic acidFL
caramellic
3-methyl butyl 2-furyl butyrateFL
cheesy
(E)-2,4-dimethyl-2-pentenoic acidFL
coconut
gamma-nonalactone (aldehyde C-18 (so-called))FL/FR
delta-octalactoneFL/FR
creamy
 acetoinFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
 butter estersFL/FR
 butter fat enzyme modified with added butyric acidFL
 butyl butyryl lactateFL/FR
cream cheese flavorFL
 creamy lactoneFL/FR
5,5-dibutyl dihydrofuran-2(3H)-oneFL
delta-dodecalactoneFL/FR
 jasmin pyranoneFL/FR
 octyl isobutyrateFL/FR
delta-undecalactoneFL/FR
 waxy lactoneFL/FR
fatty
 butter acidsFL/FR
(Z)-dairy lactoneFL/FR
 diacetyl trimerFL
4-methyl octanoic acidFL/FR
2,4-octadien-1-olFL
(E,E)-2,4-undecadienalFL
floral
 linalyl butyrateFL/FR
fruity
 acetoin acetateFL/FR
 acetyl isovalerylFL
gamma-decalactoneFL/FR
 ethyl lactateFL/FR
 octen-1-yl cyclopentanoneFL/FR
green
(Z)-4-heptenalFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexenalFL/FR
ketonic
3-heptanoneFL/FR
mushroom
1-octen-3-yl butyrateFL/FR
musk
isoambrettolideFL/FR
nutty
 coffee furanoneFL/FR
2-ethyl pyrazineFL/FR
oily
2-methyl hexanoic acidFL/FR
soapy
 octanoic acidFL/FR
sour
 butyric acidFL/FR
sulfurous
 methyl mercaptanFL/FR
sweet
 cyclohexyl acetic acidFL/FR
toasted
 acetyl propionylFL/FR
waxy
 butyl undecylenateFL/FR
9-decenoic acidFL/FR
 ethyl myristateFL/FR
 ethyl undecanoateFL/FR
2-methyl heptanoic acidFL/FR
 methyl laurateFL/FR
 myristic acidFL/FR
delta-tetradecalactoneFL/FR
2-undecanoneFL/FR
 
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Potential Uses:
 aldehydicFR
 butterFR
 cheeseFL
 coconutFR
 creamFR
 dairyFL
 emulsifying agents 
 floralFR
 roseFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 butter
Search  PMC Picture
 cistus oil @ 0.3%
Data  GC  Search Trop  Picture
 coconut seed
Search Trop  Picture
 grapefruit
Search Trop  Picture
 lime oil expressed florida @ trace%
Data  GC  Search Trop  Picture
 mandarin fruit
Search Trop  Picture
 mushroom
Search  PMC Picture
 osmanthus absolute @ 3.10%
Data  GC  Search Trop  Picture
 rice plant
Search Trop  Picture
 rum
Search  PMC Picture
 thyme
Search  Picture
 whiskey
Search  Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
1-decane carboxylic acid
1-decanecarboxylic acid
 hendecanoic acid
N-undecanoic acid
 undecoic acid
N-undecoic acid
 undecylic acid
N-undecylic acid
 undekansaeure
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