undecyl acetate
undecanyl acetate
 
Notes:
None found
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CAS Number: 1731-81-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 217-051-1
FDA UNII: 70Z4PZ8M0S
Nikkaji Web: J118.402D
MDL: MFCD00056189
CoE Number: 10906
XlogP3: 5.00 (est)
Molecular Weight: 214.34862000
Formula: C13 H26 O2
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
FLAVIS Number: 09.820 (Old)
DG SANTE Food Flavourings: 09.820  undecyl acetate
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.85800 to 0.86400 @  25.00 °C.
Pounds per Gallon - (est).: 7.139 to  7.189
Boiling Point: 259.00 to  260.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.013000 mmHg @ 25.00 °C. (est)
Flash Point: 231.00 °F. TCC ( 110.56 °C. )
logP (o/w): 5.371 (est)
Soluble in:
 alcohol
 water, 1.132 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: clean
 
Odor Strength: medium
 
 oily  clean  waxy  
Odor Description:
at 100.00 %. 
oily clean waxy
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for undecyl acetate usage levels up to:
  6.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
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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):
Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 15605
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 undecyl acetate
Chemidplus: 0001731813
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References:
 undecyl acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 1731-81-3
Pubchem (cid): 15605
Pubchem (sid): 134980204
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
CHEMBL: View
HMDB (The Human Metabolome Database): Search
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 geranyl oxyacetaldehydeFR
 tridecanalFL/FR
 undecenal mixture (aldehyde C-11 mixed)FL/FR
animal
 methyl (E)-2-octenoateFL/FR
creamy
 waxy lactoneFL/FR
floral
9-decen-1-olFL/FR
 jasmin absolute (from chassis)FL/FR
 jasmin absolute (from pommade)FL/FR
 jasmin concreteFR
 jasmin concrete moroccoFR
 lily flower absoluteFR
green
 ethyl (E)-4-decenoateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
 neryl butyrateFL/FR
(Z,Z)-3,6-nonadien-1-olFL/FR
(E)-2-octen-1-yl acetateFL/FR
musk
 ethylene dodecanoateFR
oily
(E,E)-farnesyl acetate 
soapy
 methyl anthranilate / hexyl cinnamaldehyde schiff's baseFR
waxy
isoamyl laurateFL/FR
 decyl acetateFL/FR
 dihydrocitronellyl acetateFL/FR
 dodecyl acetateFL/FR
(E)-geranyl oxyacetaldehydeFR
 heptyl octanoateFL/FR
 nonyl acetateFL/FR
2-undecanolFL/FR
 
For Flavor
 
No flavor group found for these
 dihydrocitronellyl acetateFL/FR
(E,E)-farnesyl acetate 
 undecenal mixture (aldehyde C-11 mixed)FL/FR
creamy
 waxy lactoneFL/FR
fatty
isoamyl laurateFL/FR
 ethyl (E)-4-decenoateFL/FR
floral
 jasmin absolute (from chassis)FL/FR
 jasmin absolute (from pommade)FL/FR
fruity
(E)-2-decenoic acidFL
 methyl (E)-2-octenoateFL/FR
green
(E)-2-hexen-1-yl hexanoateFL/FR
 neryl butyrateFL/FR
(E)-2-octen-1-yl acetateFL/FR
waxy
9-decen-1-olFL/FR
 decyl acetateFL/FR
 dodecyl acetateFL/FR
 heptyl octanoateFL/FR
(Z,Z)-3,6-nonadien-1-olFL/FR
 nonyl acetateFL/FR
 octyl 2-furoateFL
 tridecanalFL/FR
2-undecanolFL/FR
 
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Potential Uses:
 clean 
 waxy 
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Occurrence (nature, food, other): note
 lemon oil california @ 0.009%
Data  GC  Search Trop  Picture
 mikan peel oil @ trace%
Data  GC  Search Trop  Picture
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Synonyms:
1-undecanol acetate
1-undecanol, acetate
 undecanyl acetate
N-undecyl acetate
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Articles:
PubMed: Concentration-detection functions for eye irritation evoked by homologous n-alcohols and acetates approaching a cut-off point.
PubMed: Determination of volatile compounds in grape distillates by solid-phase extraction and gas chromatography.
PubMed: Molecular restrictions for human eye irritation by chemical vapors.
PubMed: Prostate-specific antigen immunosensing based on mixed self-assembled monolayers, camel antibodies and colloidal gold enhanced sandwich assays.
PubMed: Compounds modifying the activity of two sex attractants for males of the pea moth,Cydia nigricana (F.).
PubMed: A novel ketone monooxygenase from Pseudomonas cepacia. Purification and properties.
PubMed: Source of oxygen in the conversion of 2-tridecanone to undecyl acetate by Pseudomonas cepacia and Nocardia sp.
PubMed: Purification and properties of undecyl acetate esterase from Pseudomonas cepacia grown on 2-tridecanone.
PubMed: Specificity and induction of undecyl acetate esterase from Pseudomonas cepacia grown on 2-tridecanone.
PubMed: Oxidative degradation of methyl ketones. II. Chemical pathway for degradation of 2-tridecanone by Pseudomonas multivorans and Pseudomonas aeruginosa.
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