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

butyl nonanoate
nonanoic acid, butyl ester

Supplier Sponsors

Name:butyl nonanoate
CAS Number: 50623-57-9Picture of molecule3D/inchi
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
 
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:09.334 butyl nonanoate
 
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 mmHg @ 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
 
Organoleptic Properties:
Odor Type: floral
orange apricot rose
Odor Description:at 100.00 %. orange apricot rose
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Butyl nonan-1-oate
Inoue Perfumery
BUTYL NONANOATE
 
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
 
Safety in Use Information:
Category:
flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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
Chewing gum (05.3): --
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)
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EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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
 
References:
 butyl nonanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:50623-57-9
Pubchem (cid):39742
Pubchem (sid):135002043
Pherobase:View
 
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
Export Tariff Code:2915.90.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
nonanal diethyl acetal
FL/FR
balsamic
3-
phenyl propyl cinnamate
FL/FR
citrus
2-
dodecanone
FL/FR
bitter
orange peel oil brazil
FL/FR
ethereal
decyl propionate
FL/FR
ethyl formate
FL/FR
fatty
2-
decenal
FL/FR
fermented
iso
butyl decanoate
FL/FR
hexanal diethyl acetal
FL/FR
3-
methyl-1-pentanol
FL/FR
floral
acetyl tetralin
FR
iso
amyl undecylenate
FL/FR
benzyl alcohol
FL/FR
butyl benzyl ether
FL/FR
citronellyl formate
FL/FR
citronellyl propionate
FL/FR
gamma-
damascone
FR
(Z)-alpha-
damascone
FL/FR
(Z)-4-
decen-1-yl acetate
FL/FR
dihydrocarvyl acetate
FL/FR
farnesyl acetate
FL/FR
floral pyran
FR
geranyl acetate
FL/FR
geranyl isobutyrate
FL/FR
(E)-
geranyl linalool
FL/FR
hawthorn ethanol
FR
heptyl propionate
FL/FR
jasmin lactone (IFF)
FL/FR
leerall / methyl anthranilate schiff's base
FR
linalyl anthranilate
FL/FR
2-
methyl octanal
FL/FR
musk acetate
FR
alpha-
naphthyl methyl ketone
FL/FR
neryl acetate
FL/FR
neryl isovalerate
FL/FR
nonanal / methyl anthranilate schiff's base
FR
nonanol
FL/FR
ocean propanal / methyl anthranilate schiff's base
FR
bitter
orangeflower absolute morocco
FL/FR
petitgrain bigarade oil
FL/FR
phenethyl acetate
FL/FR
phenethyl anthranilate
FL/FR
phenethyl heptanoate
FL/FR
phenethyl isovalerate
FL/FR
phenethyl phenyl acetate
FL/FR
phenethyl salicylate
FL/FR
phenyl acetaldehyde digeranyl acetal
FR
1-
phenyl propyl butyrate
FL/FR
propyl anthranilate
FL/FR
laevo-
rose oxide
FL/FR
styralyl propionate
FL/FR
2-
undecen-1-ol
FL/FR
(E)-2-
undecen-1-ol
FL/FR
fruity
allyl propionate
FL/FR
iso
amyl butyrate
FL/FR
amyl isobutyrate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl nonanoate
FL/FR
amyl propionate
FL/FR
apricot isobutyrate
FR
benzyl butyrate
FL/FR
benzyl heptanoate
FL/FR
butyl 2-decenoate
FL/FR
(E)-alpha-
damascone
FL/FR
decen-1-yl cyclopentanone
FL/FR
dihydroactinidolide
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
fruity cyclopentanone
FR
4-
heptanone
FL/FR
heptyl isobutyrate
FL/FR
linalyl valerate
FL/FR
octyl formate
FL/FR
peach cyclopentanone
FR
2-
phenyl propyl butyrate
FL/FR
propyl butyrate
FL/FR
strawberry glycidate 2
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
green
benzyl hexanoate
FL/FR
iso
decanal
FL/FR
heptyl acetate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
nerol oxide
FL/FR
phenyl acetaldehyde
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
linalyl isovalerate
FL/FR
honey
propyl phenyl acetate
FL/FR
naphthyl
beta-
naphthyl ethyl ether
FL/FR
beta-
naphthyl methyl ether
FL/FR
soapy
ethyl undecanoate
FL/FR
waxy
ethyl octanoate
FL/FR
For Flavor
No flavor group found for these
allyl cyclohexyl valerate
FL
amyl isobutyrate
FL/FR
amyl propionate
FL/FR
iso
amyl undecylenate
FL/FR
benzyl heptanoate
FL/FR
benzyl hexanoate
FL/FR
butyl benzyl ether
FL/FR
iso
butyl decanoate
FL/FR
(Z)-alpha-
damascone
FL/FR
iso
decanal
FL/FR
(Z)-4-
decen-1-yl acetate
FL/FR
decyl propionate
FL/FR
dihydroactinidolide
FL/FR
(E)-
geranyl linalool
FL/FR
hexanal diethyl acetal
FL/FR
jasmin lactone (IFF)
FL/FR
linalyl valerate
FL/FR
2-
methyl octanal
FL/FR
alpha-
naphthyl methyl ketone
FL/FR
nonanal diethyl acetal
FL/FR
phenethyl heptanoate
FL/FR
1-
phenyl propyl butyrate
FL/FR
propyl anthranilate
FL/FR
2-
undecen-1-ol
FL/FR
(E)-2-
undecen-1-ol
FL/FR
alliaceous
alliaceous
allyl propionate
FL/FR
berry
heptyl isobutyrate
FL/FR
citrus
petitgrain bigarade oil
FL/FR
styralyl propionate
FL/FR
creamy
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
ethereal
ethyl formate
FL/FR
fatty
2-
decenal
FL/FR
2-
dodecanone
FL/FR
floral
citronellyl propionate
FL/FR
dihydrocarvyl acetate
FL/FR
farnesyl acetate
FL/FR
geranyl isobutyrate
FL/FR
linalyl anthranilate
FL/FR
neryl acetate
FL/FR
bitter
orangeflower absolute morocco
FL/FR
phenethyl anthranilate
FL/FR
laevo-
rose oxide
FL/FR
fruity
iso
amyl isobutyrate
FL/FR
benzyl alcohol
FL/FR
benzyl butyrate
FL/FR
butyl 2-decenoate
FL/FR
citronellyl formate
FL/FR
(E)-alpha-
damascone
FL/FR
decen-1-yl cyclopentanone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
2-
furyl pentyl ketone
FL
4-
heptanone
FL/FR
heptyl propionate
FL/FR
linalyl isovalerate
FL/FR
neryl isovalerate
FL/FR
bitter
orange peel oil brazil
FL/FR
phenethyl isovalerate
FL/FR
propyl butyrate
FL/FR
strawberry glycidate 2
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
green
geranyl acetate
FL/FR
heptyl acetate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
4-
methyl-2-pentenal
FL
nerol oxide
FL/FR
octyl formate
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
honey
phenethyl acetate
FL/FR
phenethyl phenyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
propyl phenyl acetate
FL/FR
medicinal,
phenethyl salicylate
FL/FR
naphthyl
beta-
naphthyl methyl ether
FL/FR
powdery
beta-
naphthyl ethyl ether
FL/FR
spicy
2-
phenyl propyl butyrate
FL/FR
3-
phenyl propyl cinnamate
FL/FR
waxy
iso
amyl butyrate
FL/FR
ethyl octanoate
FL/FR
ethyl undecanoate
FL/FR
nonanol
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
winey
iso
amyl nonanoate
FL/FR
 
Potential Uses:
FRapricot
FRfruit
FRorange
FRrose
 
Occurrence (nature, food, other):note
 brandy grape brandy
Search PMC Picture
 hierochloe odorata
Search Trop Picture
 wine
Search Picture
 
Synonyms:
 butyl nonan-1-oate
N-butyl nonanoate
 butyl pelargonate
 nonanoic acid butyl ester
 nonanoic acid, butyl ester
 
 
Notes:
None found
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