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

undecanoic acid
undecoic acid

Sponsors

Name:undecanoic acid
CAS Number: 112-37-8Picture of molecule3D/inchi
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:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: UNDECANOIC ACID
 
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
 
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).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: antiseborrhoeic agents
cleansing agents
emulsifying agents
masking agents
surfactants
 
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)
 
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
 
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
 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: --
 
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
 
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
 
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
 
Potential Blenders and core components note
For Odor
acidic
iso
butyric acid
FL/FR
cyclohexyl acetic acid
FL/FR
balsamic
cinnamyl benzoate
FL/FR
bready
coffee furanone
FL/FR
buttery
acetoin
FL/FR
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
butyl octanoate
FL/FR
2,3-
heptane dione
FL/FR
3,4-
hexane dione
FL/FR
caramellic
alpha,alpha-
dimethyl anisyl acetone
FL/FR
cheesy
butyric acid
FL/FR
2-
methyl hexanoic acid
FL/FR
2-
methyl valeric acid
FL/FR
coconut
(R)-gamma-
nonalactone
FL/FR
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
delta-
octalactone
FL/FR
delta-
undecalactone
FL/FR
creamy
creamy lactone
FL/FR
waxy lactone
FL/FR
fatty
butter esters
FL/FR
butyl undecylenate
FL/FR
(Z)-
dairy lactone
FL/FR
lauric acid
FL/FR
4-
methyl octanoic acid
FL/FR
octanoic acid
FL/FR
floral
benzyl lactate
FL/FR
jasmin pyranone
FL/FR
linalyl butyrate
FL/FR
fruity
acetoin acetate
FL/FR
gamma-
decalactone
FL/FR
ethyl lactate
FL/FR
octen-1-yl cyclopentanone
FL/FR
prenyl isobutyrate
FL/FR
2-
undecanone
FL/FR
green
3-
heptanone
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexenal
FL/FR
mushroom
1-
octen-3-yl butyrate
FL/FR
musk
iso
ambrettolide
FL/FR
nutty
2-
ethyl pyrazine
FL/FR
oily
butter acids
FL/FR
soapy
ethyl undecanoate
FL/FR
sulfurous
methyl mercaptan
FL/FR
tropical
delta-
dodecalactone
FL/FR
waxy
9-
decenoic acid
FL/FR
ethyl myristate
FL/FR
2-
methyl heptanoic acid
FL/FR
methyl laurate
FL/FR
myristic acid
FL/FR
octyl isobutyrate
FL/FR
palmitic acid
FR
delta-
tetradecalactone
FL/FR
For Flavor
No flavor group found for these
benzyl lactate
FL/FR
butyl octanoate
FL/FR
cinnamyl benzoate
FL/FR
6-
decenoic acid
FL
alpha,alpha-
dimethyl anisyl acetone
FL/FR
2,4-
heptadien-1-ol
FL
(E,E)-2,4-
heptadien-1-ol
FL
lauric acid
FL/FR
S-
methyl 4-methyl pentane thioate
FL
5-
methyl hexanoic acid
FL
3-(
methyl thio) hexanal
FL
(R)-gamma-
nonalactone
FL/FR
prenyl isobutyrate
FL/FR
sodium 4-methyl-2-oxovalerate
FL
acidic
acidic
iso
butyric acid
FL/FR
(E)-2-
hexenoic acid
FL
alliaceous
3-
tetrahydrothiophenone
FL
bitter
glyceryl tributyrate
FL
buttery
butyroin
FL
diacetyl
FL
2,3-
heptane dione
FL/FR
3,4-
hexane dione
FL/FR
2-
methyl valeric acid
FL/FR
(E)-2-
pentenoic acid
FL
caramellic
3-
methyl butyl 2-furyl butyrate
FL
cheesy
(E)-2,4-
dimethyl-2-pentenoic acid
FL
coconut
gamma-
nonalactone (aldehyde C-18 (so-called))
FL/FR
delta-
octalactone
FL/FR
creamy
acetoin
FL/FR
acetyl butyryl
FL/FR
acetyl isobutyryl
FL/FR
butter esters
FL/FR
butter fat enzyme modified with added butyric acid
FL
butyl butyryl lactate
FL/FR
cream
cheese flavor
FL
creamy lactone
FL/FR
5,5-
dibutyl dihydrofuran-2(3H)-one
FL
delta-
dodecalactone
FL/FR
jasmin pyranone
FL/FR
octyl isobutyrate
FL/FR
delta-
undecalactone
FL/FR
waxy lactone
FL/FR
fatty
butter acids
FL/FR
(Z)-
dairy lactone
FL/FR
diacetyl trimer
FL
4-
methyl octanoic acid
FL/FR
2,4-
octadien-1-ol
FL
(E,E)-2,4-
undecadienal
FL
floral
linalyl butyrate
FL/FR
fruity
acetoin acetate
FL/FR
acetyl isovaleryl
FL
gamma-
decalactone
FL/FR
ethyl lactate
FL/FR
octen-1-yl cyclopentanone
FL/FR
green
(Z)-4-
heptenal
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexenal
FL/FR
ketonic
3-
heptanone
FL/FR
mushroom
1-
octen-3-yl butyrate
FL/FR
musk
iso
ambrettolide
FL/FR
nutty
coffee furanone
FL/FR
2-
ethyl pyrazine
FL/FR
oily
2-
methyl hexanoic acid
FL/FR
soapy
octanoic acid
FL/FR
sour
butyric acid
FL/FR
sulfurous
methyl mercaptan
FL/FR
sweet
cyclohexyl acetic acid
FL/FR
toasted
acetyl propionyl
FL/FR
waxy
butyl undecylenate
FL/FR
9-
decenoic acid
FL/FR
ethyl myristate
FL/FR
ethyl undecanoate
FL/FR
2-
methyl heptanoic acid
FL/FR
methyl laurate
FL/FR
myristic acid
FL/FR
delta-
tetradecalactone
FL/FR
2-
undecanone
FL/FR
 
Potential Uses:
FRaldehydic
FRbutter
FLcheese
FRcoconut
FRcream
FLdairy
 emulsifying agents
FRfloral
FRrose
 
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:
1-decane carboxylic acid
1-decanecarboxylic acid
 hendecanoic acid
N-undecanoic acid
 undecoic acid
N-undecoic acid
 undecylic acid
N-undecylic acid
 undekansaeure
 
 
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)
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