butyl nonanoate
nonanoic acid, butyl ester
 
Notes:
None found
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butyl nonanoate (Click)
CAS Number: 50623-57-9Picture of molecule
ECHA EINECS - REACH Pre-Reg: 256-661-2
FDA UNII: 9YX9F28J2N
Nikkaji Web: J115.092H
XlogP3-AA: 4.90 (est)
Molecular Weight: 214.34862000
Formula: C13 H26 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
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Flavis Number: 09.334 (Old)
DG SANTE Food Flavourings: 09.334  butyl nonanoate
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.84900 to 0.85500 @  25.00 °C.
Pounds per Gallon - (est).: 7.065 to  7.114
Specific Gravity: 0.84900 to 0.85500 @  25.00 °C.
Pounds per Gallon - est.: 7.065 to 7.114
Refractive Index: 1.42300 to 1.42900 @  20.00 °C.
Melting Point: -38.00 °C. @ 760.00 mm Hg
Boiling Point: 270.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.021400 mm/Hg @ 25.00 °C.
Flash Point: 229.00 °F. TCC ( 109.44 °C. )
logP (o/w): 5.371 (est)
Soluble in:
 alcohol
 water, 1.130 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl nonanoate
amyl nonanoate
isoamyl nonanoate
benzyl nonanoate
isobutyl nonanoate
ethyl nonanoate
geranyl nonanoate
heptyl nonanoate
hexyl nonanoate
methyl nonanoate
nonyl nonanoate
octyl nonanoate
phenethyl nonanoate
propyl nonanoate
isopropyl nonanoate
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Organoleptic Properties:
Odor Type: floral
Odor Strength: medium
 orange  apricot  rose  
Odor Description:
at 100.00 %. 
orange apricot rose
  
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Butyl nonan-1-oate
Inoue Perfumery
BUTYL NONANOATE
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Safety Information:
 
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 butyl nonanoate usage levels up to:
  6.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.30 (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 : 39742
National Institute of Allergy and Infectious Diseases: Data
 butyl nonanoate
Chemidplus: 0050623579
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References:
 butyl nonanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 50623-57-9
Pubchem (cid): 39742
Pubchem (sid): 135002043
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
HMDB (The Human Metabolome Database): Search
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
aldehydic
 nonanal diethyl acetalFL/FR
balsamic
3-phenyl propyl cinnamateFL/FR
citrus
2-dodecanoneFL/FR
bitter orange peel oil brazilFL/FR
ethereal
 decyl propionateFL/FR
 ethyl formateFL/FR
fatty
2-decenalFL/FR
fermented
isobutyl decanoateFL/FR
 hexanal diethyl acetalFL/FR
3-methyl-1-pentanolFL/FR
floral
 acetyl tetralinFR
isoamyl undecylenateFL/FR
 benzyl alcoholFL/FR
 butyl benzyl etherFL/FR
 citronellyl formateFL/FR
 citronellyl propionateFL/FR
gamma-damasconeFR
(Z)-alpha-damasconeFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 dihydrocarvyl acetateFL/FR
 farnesyl acetateFL/FR
 floral pyranFR
 geranyl acetateFL/FR
 geranyl isobutyrateFL/FR
(E)-geranyl linaloolFL/FR
 globulol 
 hawthorn ethanolFR
 heptyl propionateFL/FR
 jasmin lactone (IFF)FL/FR
 leerall / methyl anthranilate schiff's baseFR
 linalyl anthranilateFL/FR
2-methyl octanalFL/FR
 musk acetateFR
alpha-naphthyl methyl ketoneFL/FR
 neryl acetateFL/FR
 neryl isovalerateFL/FR
 nonanal / methyl anthranilate schiff's baseFR
 nonanolFL/FR
 nonyl heptanoate 
 ocean propanal / methyl anthranilate schiff's baseFR
bitter orangeflower absolute moroccoFL/FR
 petitgrain bigarade oilFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl heptanoateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehyde digeranyl acetalFR
1-phenyl propyl butyrateFL/FR
 propyl anthranilateFL/FR
laevo-rose oxideFL/FR
 styralyl propionateFL/FR
2-undecen-1-olFL/FR
(E)-2-undecen-1-olFL/FR
 allyl propionateFL/FR
isoamyl butyrateFL/FR
isoamyl isobutyrateFL/FR
 amyl isobutyrateFL/FR
isoamyl nonanoateFL/FR
 amyl propionateFL/FR
 apricot isobutyrateFR
 benzyl butyrateFL/FR
 benzyl heptanoateFL/FR
 butyl 2-decenoateFL/FR
(E)-alpha-damasconeFL/FR
 decen-1-yl cyclopentanoneFL/FR
 dihydroactinidolideFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
 fruity cyclopentanoneFR
4-heptanoneFL/FR
 heptyl isobutyrateFL/FR
 linalyl valerateFL/FR
 octyl formateFL/FR
 peach cyclopentanoneFR
2-phenyl propyl butyrateFL/FR
 propyl butyrateFL/FR
 strawberry glycidate 2FL/FR
 tetrahydrofurfuryl butyrateFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
green
 benzyl hexanoateFL/FR
isodecanalFL/FR
 heptyl acetateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
 nerol oxideFL/FR
 phenyl acetaldehydeFL/FR
herbal
 anthemis nobilis flower oil romanFL/FR
 linalyl isovalerateFL/FR
honey
 propyl phenyl acetateFL/FR
naphthyl
beta-naphthyl ethyl etherFL/FR
beta-naphthyl methyl etherFL/FR
soapy
 ethyl undecanoateFL/FR
waxy
 ethyl octanoateFL/FR
 
For Flavor
 
No flavor group found for these
 allyl cyclohexyl valerateFL
 amyl isobutyrateFL/FR
 amyl propionateFL/FR
isoamyl undecylenateFL/FR
 benzyl heptanoateFL/FR
 benzyl hexanoateFL/FR
 butyl benzyl etherFL/FR
isobutyl decanoateFL/FR
(Z)-alpha-damasconeFL/FR
isodecanalFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 decyl propionateFL/FR
 dihydroactinidolideFL/FR
(E)-geranyl linaloolFL/FR
 globulol 
 hexanal diethyl acetalFL/FR
 jasmin lactone (IFF)FL/FR
 linalyl valerateFL/FR
2-methyl octanalFL/FR
beta-naphthyl methyl etherFL/FR
alpha-naphthyl methyl ketoneFL/FR
 nonanal diethyl acetalFL/FR
 nonyl heptanoate 
 phenethyl anthranilateFL/FR
 phenethyl heptanoateFL/FR
 phenethyl salicylateFL/FR
1-phenyl propyl butyrateFL/FR
3-phenyl propyl cinnamateFL/FR
 propyl anthranilateFL/FR
(E)-2-undecen-1-olFL/FR
2-undecen-1-olFL/FR
aldehydic
 nonanolFL/FR
alliaceous
 allyl propionateFL/FR
berry
 heptyl isobutyrateFL/FR
citrus
 petitgrain bigarade oilFL/FR
 styralyl propionateFL/FR
creamy
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
ethereal
 ethyl formateFL/FR
fatty
2-decenalFL/FR
2-dodecanoneFL/FR
floral
 citronellyl propionateFL/FR
 dihydrocarvyl acetateFL/FR
 farnesyl acetateFL/FR
 geranyl isobutyrateFL/FR
 linalyl anthranilateFL/FR
 neryl acetateFL/FR
bitter orangeflower absolute moroccoFL/FR
laevo-rose oxideFL/FR
fruity
isoamyl isobutyrateFL/FR
 benzyl alcoholFL/FR
 benzyl butyrateFL/FR
 butyl 2-decenoateFL/FR
 citronellyl formateFL/FR
(E)-alpha-damasconeFL/FR
 decen-1-yl cyclopentanoneFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
2-furyl pentyl ketoneFL
4-heptanoneFL/FR
 heptyl propionateFL/FR
 linalyl isovalerateFL/FR
 neryl isovalerateFL/FR
bitter orange peel oil brazilFL/FR
 phenethyl isovalerateFL/FR
 propyl butyrateFL/FR
 strawberry glycidate 2FL/FR
 tetrahydrofurfuryl butyrateFL/FR
green
 geranyl acetateFL/FR
 heptyl acetateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
4-methyl-2-pentenalFL
 nerol oxideFL/FR
 octyl formateFL/FR
herbal
 anthemis nobilis flower oil romanFL/FR
honey
 phenethyl acetateFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehydeFL/FR
 propyl phenyl acetateFL/FR
powdery
beta-naphthyl ethyl etherFL/FR
spicy
2-phenyl propyl butyrateFL/FR
waxy
isoamyl butyrateFL/FR
 ethyl octanoateFL/FR
 ethyl undecanoateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
winey
isoamyl nonanoateFL/FR
 
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Potential Uses:
 apricotFR
 fruitFR
 orangeFR
 roseFR
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Occurrence (nature, food, other): note
 brandy grape brandy
Search  Picture
 hierochloe odorata
Search Trop  Picture
 wine
Search  Picture
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Synonyms:
 butyl nonan-1-oate
N-butyl nonanoate
 butyl pelargonate
 nonanoic acid butyl ester
 nonanoic acid, butyl ester
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