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butyl decanoate
decanoic acid, butyl ester

Supplier Sponsors

Name:butyl decanoate
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 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:09.327 (Old)
DG SANTE Food Flavourings:09.327 butyl decanoate
 
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
 
Organoleptic Properties:
Odor Description:whiskey
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
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
 
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
 
Safety in Use Information:
Category: flavor and fragrance agents
 
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
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
 
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
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
 
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
 
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
HMDB (The Human Metabolome Database):Search
FooDB:FDB029734
Export Tariff Code:2915.90.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
opoponax oil (balsamodendron kafal)
FL/FR
opoponax resinoid (balsamodendron kafal)
FR
terpinyl cinnamate
FL/FR
burnt
rum ether
FL/FR
caramellic
diethyl malate
FL/FR
ethyl cyclopentenolone
FL/FR
citrus
bitter
orange peel oil brazil
FL/FR
earthy
amyl octanoate
FL/FR
ethereal
iso
amyl acetoacetate
FL/FR
iso
butyl alcohol
FL/FR
decyl propionate
FL/FR
ethyl formate
FL/FR
fatty
butyl undecylenate
FL/FR
fermented
iso
amyl alcohol
FL/FR
iso
butyl decanoate
FL/FR
hexanal diethyl acetal
FL/FR
methyl decanoate
FL/FR
3-
methyl-1-pentanol
FL/FR
floral
dimethyl anthranilate
FL/FR
rose oil (rosa damascena) bulgaria
FL/FR
fruity
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl hexanoate
FL/FR
diethyl laevo-tartrate
FL/FR
diethyl sebacate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
4-
heptanone
FL/FR
methyl nonanoate
FL/FR
2-
pentanone
FL/FR
propyl heptanoate
FL/FR
sorbyl butyrate
FL/FR
green
benzaldehyde dimethyl acetal
FL/FR
green
cognac oil
FL/FR
heptanal (aldehyde C-7)
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
hexyl isobutyrate
FL/FR
hexyl phenyl acetate
FL/FR
herbal
iso
amyl tiglate
FL/FR
anthemis nobilis flower oil roman
FL/FR
white
cognac oil
FL/FR
ethyl chrysanthemate
FR
phenethyl senecioate
FL/FR
honey
methyl hydrocinnamate
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
soapy
ethyl undecanoate
FL/FR
waxy
allyl nonanoate
FL/FR
iso
amyl laurate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
winey
butyl angelate
FL/FR
2-
hexanol
FL/FR
For Flavor
No flavor group found for these
amyl octanoate
FL/FR
iso
amyl tiglate
FL/FR
2-
amyl-5 or 6-keto-1,4-dioxane
FL
butyl angelate
FL/FR
iso
butyl decanoate
FL/FR
iso
butyraldehyde propylene glycol acetal
FL
decyl propionate
FL/FR
diethyl laevo-tartrate
FL/FR
diethyl malate
FL/FR
ethyl aconitate
FL
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
hexanal diethyl acetal
FL/FR
2-
hexanol
FL/FR
methyl hydrocinnamate
FL/FR
2-
methyl-1-butanol
FL/FR
phenethyl senecioate
FL/FR
sorbyl propionate
FL
balsamic
balsamic
opoponax oil (balsamodendron kafal)
FL/FR
burnt
rum ether
FL/FR
ethereal
iso
butyl alcohol
FL/FR
ethyl formate
FL/FR
fatty
iso
amyl laurate
FL/FR
methyl decanoate
FL/FR
floral
rose oil (rosa damascena) bulgaria
FL/FR
fruity
iso
amyl acetoacetate
FL/FR
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl hexanoate
FL/FR
diethyl sebacate
FL/FR
dimethyl anthranilate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
4-
heptanone
FL/FR
hexyl phenyl acetate
FL/FR
bitter
orange peel oil brazil
FL/FR
2-
pentanone
FL/FR
sorbyl butyrate
FL/FR
terpinyl cinnamate
FL/FR
fusel
iso
amyl alcohol
FL/FR
white
cognac oil
FL/FR
green
cognac oil
FL/FR
green
benzaldehyde dimethyl acetal
FL/FR
heptanal (aldehyde C-7)
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
hexyl isobutyrate
FL/FR
4-
methyl-2-pentenal
FL
herbal
anthemis nobilis flower oil roman
FL/FR
jammy
ethyl cyclopentenolone
FL/FR
musty
propionaldehyde
FL
waxy
allyl nonanoate
FL/FR
butyl undecylenate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
ethyl undecanoate
FL/FR
propyl heptanoate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
winey
methyl nonanoate
FL/FR
 
Potential Uses:
FRcognac
FLwhiskey
FRwine
 
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
 
Synonyms:
 butyl caprate
N-butyl caprate
 butyl decanoate purum
 butylcaprate
N-capric acid N-butyl ester
 decanoic acid butyl ester
 decanoic acid, butyl ester
 
 
Notes:
an unbranched, saturated, aliphatic monoester. Flavouring compound [Flavornet]
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