butyl decanoate
decanoic acid, butyl ester
 
Notes:
an unbranched, saturated, aliphatic monoester. Flavouring compound [Flavornet]
  • BOC Sciences
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      Product(s):
      30673-36-0 Butyl Decanoate
       
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      02-54800 BUTYL CAPRATE
       
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
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      W2250 n-butyl caprate
       
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      D0020 Butyl Decanoate >98.0%(GC)
       
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      Butyl Decanoate
       
Synonyms   Articles   Notes   Search
CAS Number: 30673-36-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 250-280-5
FDA UNII: 64W3201R25
Nikkaji Web: J115.100B
Beilstein Number: 1769651
MDL: MFCD00053823
CoE Number: 10530
XlogP3-AA: 5.40 (est)
Molecular Weight: 228.37556000
Formula: C14 H28 O2
NMR Predictor: Predict (works with chrome, Edge 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
DG SANTE Food Flavourings: 09.327  butyl decanoate
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 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
Refractive Index: 1.42700 to 1.43300 @  20.00 °C.
Boiling Point: 274.00 to  275.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.005000 mmHg @ 25.00 °C. (est)
Flash Point: 248.00 °F. TCC ( 120.00 °C. )
logP (o/w): 5.880 (est)
Soluble in:
 alcohol
 water, 0.3631 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl decanoate
amyl decanoate
isoamyl decanoate
benzyl decanoate
isobutyl decanoate
citronellyl decanoate
decyl decanoate
ethyl 2-acetyl decanoate
ethyl decanoate
furfuryl decanoate
heptyl decanoate
(Z)-3-hexen-1-yl decanoate
hexyl decanoate
2-methyl butyl decanoate
methyl decanoate
nonyl decanoate
octyl decanoate
phenethyl decanoate
propyl decanoate
isopropyl decanoate
sulfuryl decanoate
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Organoleptic Properties:
Odor Description:
whiskey
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Butyl Decanoate
Inoue Perfumery
BUTYL DECANOATE
Naturamole
butyl decanoate 98% natural EU
Penta International
BUTYL CAPRATE
Santa Cruz Biotechnology
For experimental / research use only.
Butyl Decanoate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Butyl decanoate purum ≥98.0% (GC)
Synerzine
n-butyl caprate
TCI AMERICA
For experimental / research use only.
Butyl Decanoate >98.0%(GC)
WholeChem
Butyl Decanoate
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 6.70 (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
Chewing gum (05.0): --
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
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 30673-36-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 35408
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 butyl decanoate
Chemidplus: 0030673360
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References:
 butyl decanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 30673-36-0
Pubchem (cid): 35408
Pubchem (sid): 134999738
Flavornet: 30673-36-0
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
FooDB: FDB029734
Export Tariff Code: 2915.90.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
balsamic
balsamic
 opoponax oil (balsamodendron kafal)FL/FR
 opoponax resinoid (balsamodendron kafal)FR
 terpinyl cinnamateFL/FR
burnt
 rum etherFL/FR
caramellic
 diethyl malateFL/FR
 ethyl cyclopentenoloneFL/FR
citrus
bitter orange peel oil brazilFL/FR
earthy
 amyl octanoateFL/FR
ethereal
isoamyl acetoacetateFL/FR
isobutyl alcoholFL/FR
 decyl propionateFL/FR
 ethyl formateFL/FR
2-methyl-1-butanolFL/FR
fatty
 butyl undecylenateFL/FR
fermented
isoamyl alcoholFL/FR
isobutyl decanoateFL/FR
 hexanal diethyl acetalFL/FR
 methyl decanoateFL/FR
3-methyl-1-pentanolFL/FR
floral
 dimethyl anthranilateFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl hexanoateFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl sebacateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
 farnesyl acetoneFL/FR
 geranyl acetoacetateFL/FR
4-heptanoneFL/FR
 methyl nonanoateFL/FR
2-pentanoneFL/FR
 propyl heptanoateFL/FR
 sorbyl butyrateFL/FR
green
 benzaldehyde dimethyl acetalFL/FR
green cognac oilFL/FR
 heptanal (aldehyde C-7)FL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
 hexyl isobutyrateFL/FR
 hexyl phenyl acetateFL/FR
herbal
isoamyl tiglateFL/FR
 anthemis nobilis flower oil romanFL/FR
white cognac oilFL/FR
 ethyl chrysanthemateFR
 phenethyl senecioateFL/FR
honey
 methyl hydrocinnamateFL/FR
soapy
 ethyl undecanoateFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl laurateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
winey
 butyl angelateFL/FR
2-hexanolFL/FR
 
For Flavor
 
No flavor group found for these
 amyl octanoateFL/FR
isoamyl tiglateFL/FR
2-amyl-5 or 6-keto-1,4-dioxaneFL
 butyl angelateFL/FR
isobutyl decanoateFL/FR
isobutyraldehyde propylene glycol acetalFL
 decyl propionateFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl malateFL/FR
 ethyl aconitateFL
 farnesyl acetoneFL/FR
 geranyl acetoacetateFL/FR
 hexanal diethyl acetalFL/FR
2-hexanolFL/FR
 methyl hydrocinnamateFL/FR
 phenethyl senecioateFL/FR
 sorbyl propionateFL
balsamic
 opoponax oil (balsamodendron kafal)FL/FR
burnt
 rum etherFL/FR
ethereal
isobutyl alcoholFL/FR
 ethyl formateFL/FR
2-methyl-1-butanolFL/FR
fatty
isoamyl laurateFL/FR
 methyl decanoateFL/FR
floral
 rose oil (rosa damascena) bulgariaFL/FR
fruity
isoamyl acetoacetateFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl hexanoateFL/FR
 diethyl sebacateFL/FR
 dimethyl anthranilateFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
4-heptanoneFL/FR
 hexyl phenyl acetateFL/FR
bitter orange peel oil brazilFL/FR
2-pentanoneFL/FR
 sorbyl butyrateFL/FR
 terpinyl cinnamateFL/FR
fusel
isoamyl alcoholFL/FR
white cognac oilFL/FR
green cognac oilFL/FR
green
 benzaldehyde dimethyl acetalFL/FR
 heptanal (aldehyde C-7)FL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
 hexyl isobutyrateFL/FR
4-methyl-2-pentenalFL
herbal
 anthemis nobilis flower oil romanFL/FR
jammy
 ethyl cyclopentenoloneFL/FR
musty
 propionaldehydeFL
waxy
 allyl nonanoateFL/FR
 butyl undecylenateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 ethyl undecanoateFL/FR
 propyl heptanoateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
winey
 methyl nonanoateFL/FR
 
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Potential Uses:
 cognacFR
 whiskeyFL
 wineFR
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Occurrence (nature, food, other): note
 apple fruit
Search  PMC Picture
 apple juice
Search  PMC Picture
 cheese provolone cheese
Search  PMC Picture
 gooseberry cape gooseberry fruit
Search Trop  Picture
 orange fruit - up to 5 mg/kg
Search Trop  Picture
 papaya fruit
Search Trop  Picture
 vinegar
Search  Picture
 whiskey
Search  Picture
 wine
Search  Picture
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Synonyms:
 butyl caprate
N-butyl caprate
 butyl decanoate purum
 butylcaprate
N-capric acid N-butyl ester
 decanoic acid butyl ester
 decanoic acid, butyl ester
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