nonyl benzoate
benzoic acid, nonyl ester
 
Notes:
Blends well with aldehydic topnotes.
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      5451-95-6 Nonyl Benzoate
       
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CAS Number: 5451-95-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 226-691-0
Nikkaji Web: J47.216F
XlogP3: 6.20 (est)
Molecular Weight: 248.36568000
Formula: C16 H24 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
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
Google Patents: Search
US Patents: Search
EU Patents: Search
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PubMed: Search
NCBI: Search
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.96200 @  25.00 °C.
Boiling Point: 315.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.000108 mmHg @ 25.00 °C. (est)
Flash Point: 287.00 °F. TCC ( 141.67 °C. )
logP (o/w): 6.200 (est)
Soluble in:
 alcohol
 water, 0.2927 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: balsamic
 
Odor Strength: medium
 
 myrrh  sweet  orange  wintergreen  minty  
Odor Description:
at 100.00 %. 
myrrh sweet orange wintergreen minty
 
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.
Nonyl Benzoate
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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: information only not used for fragrances or flavors
Recommendation for nonyl benzoate usage levels up to:
 not for fragrance use.
 
Recommendation for nonyl benzoate flavor usage levels up to:
 not for flavor use.
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Safety References:
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 : 79547
National Institute of Allergy and Infectious Diseases: Data
 nonyl benzoate
Chemidplus: 0005451956
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References:
 nonyl benzoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 79547
Pubchem (sid): 135037383
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
CHEMBL: View
HMDB (The Human Metabolome Database): Search
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 satinaldehydeFL/FR
aldehydic
 decanal (aldehyde C-10)FL/FR
 nonanal (aldehyde C-9)FL/FR
 octanal (aldehyde C-8)FL/FR
 TMH aldehydeFR
balsamic
 abies alba cone oilFR
 balsam ketoneFR
 terpinyl isovalerateFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 citral / methyl anthranilate schiff's baseFR
 citral propylene glycol acetalFL/FR
4-decenalFL/FR
(E)-4-decenalFL/FR
(Z)-4-decenalFL/FR
(Z)-4-decenal diethyl acetalFR
2,4-dimethyl-3-cyclohexene-1-methanyl acetateFR
 dodecane nitrileFR
2-dodecanoneFL/FR
 mandarin oil italyFL/FR
 nonyl anthranilate 
(+)-nootkatoneFL/FR
 octanal glycol acetalFR
 orange carbonylsFL/FR
 orange nitrileFR
blood orange oil italyFL/FR
bitter orange peel oilFL/FR
bitter orange peel oil brazilFL/FR
sweet orange peel oil c.p. brazilFL/FR
sweet orange peel oil c.p. californiaFL/FR
bitter orange peel oil italyFL/FR
bitter orange peel oil terpenelessFL/FR
sweet orange peel oil terpenelessFL/FR
beta-sinensalFL/FR
alpha-sinensalFL/FR
 tangerine oil americaFL/FR
sesquiterpene fractionsFR
alpha-terpinyl methyl etherFL/FR
 valenceneFL/FR
clean
 clean nitrileFR
coumarinic
 tonka ketoneFR
earthy
 octyl phenyl acetateFL/FR
 decanolFL/FR
2-decenalFL/FR
(E,Z)-2,6-dodecadienalFL/FR
floral
 butyl nonanoateFL/FR
 champaca absoluteFR
 cyclamen aldehyde / methyl anthranilate schiff's baseFR
 decanal / methyl anthranilate schiff's baseFR
2-decanoneFL/FR
 decyl formateFR
 dihydrojasmoneFL/FR
 ethyl anthranilateFL/FR
 gardenia decaloneFR
 honeysuckle absoluteFR
 hydroxycitronellal / methyl anthranilate schiff's baseFR
 leerall / methyl anthranilate schiff's baseFR
 lilyall / methyl anthranilate schiff's baseFR
 linalyl anthranilateFL/FR
beta-naphthyl methyl ketoneFL/FR
alpha-naphthyl methyl ketoneFL/FR
 neroli oil bigardeFL/FR
 neroli oil CO2 extractFL/FR
 nerolin fragarolFL/FR
 nonanal / methyl anthranilate schiff's baseFR
 nonanolFL/FR
 nonyl heptanoate 
 ocean propanal / methyl anthranilate schiff's baseFR
 petitgrain bigarade oilFL/FR
 phenethyl anthranilateFL/FR
 propyl anthranilateFL/FR
 surfleurs d'oranger oilFL/FR
alpha-terpinyl anthranilateFL/FR
 wallflower absoluteFR
fruity
 allyl salicylateFR
 bisaboleneFL/FR
 cyclohexyl anthranilateFL/FR
 methyl anthranilateFL/FR
 methyl dimethyl anthranilateFL/FR
 octyl formateFL/FR
 phenoxyethyl propionateFL/FR
(E)-2-undecenalFL/FR
2-undecenalFL/FR
green
 heptanal dimethyl acetalFL/FR
 nerol oxideFL/FR
 neryl butyrateFL/FR
herbal
 cardamom liquid resinFR
(E)-2-dodecenalFL/FR
 rue flower oil colombia 
 rue oilFL/FR
medicinal
2-hydroxybenzaldehydeFL/FR
minty
 betula lenta bark oil americaFL/FR
 ethyl benzoateFL/FR
 ethyl salicylateFL/FR
 methyl salicylateFL/FR
 wintergreen oilFL/FR
naphthyl
beta-naphthyl ethyl etherFL/FR
beta-naphthyl methyl etherFL/FR
2-naphthyl phenyl ketone 
phenolic
 methyl benzoateFL/FR
waxy
 decanal diethyl acetalFL/FR
3-decanoneFL/FR
 methyl octanoateFL/FR
2-nonanolFL/FR
 octanolFL/FR
woody
alpha-farneseneFL/FR
 labdanum ethanoneFR
 
For Flavor
 
No flavor group found for these
 butyl nonanoateFL/FR
 citral propylene glycol acetalFL/FR
3-decanoneFL/FR
4-decenalFL/FR
 methyl dimethyl anthranilateFL/FR
alpha-naphthyl methyl ketoneFL/FR
2-naphthyl phenyl ketone 
 nonyl anthranilate 
 nonyl heptanoate 
 octyl phenyl acetateFL/FR
 propyl anthranilateFL/FR
 rue flower oil colombia 
beta-sinensalFL/FR
alpha-sinensalFL/FR
 surfleurs d'oranger oilFL/FR
alpha-terpinyl anthranilateFL/FR
aldehydic
 nonanal (aldehyde C-9)FL/FR
 octanal (aldehyde C-8)FL/FR
bitter
 terpinyl isovalerateFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 bisaboleneFL/FR
(Z)-4-decenalFL/FR
 mandarin oil italyFL/FR
(+)-nootkatoneFL/FR
 orange carbonylsFL/FR
blood orange oil italyFL/FR
bitter orange peel oilFL/FR
sweet orange peel oil c.p. brazilFL/FR
sweet orange peel oil c.p. californiaFL/FR
bitter orange peel oil italyFL/FR
sweet orange peel oil terpenelessFL/FR
bitter orange peel oil terpenelessFL/FR
 petitgrain bigarade oilFL/FR
 tangerine oil americaFL/FR
 valenceneFL/FR
fatty
2,4-decadienalFL
2-decenalFL/FR
(E,E)-2,4-dodecadienalFL
2-dodecanoneFL/FR
fermented
2-decanoneFL/FR
floral
 dihydrojasmoneFL/FR
 linalyl anthranilateFL/FR
beta-naphthyl methyl ketoneFL/FR
 neroli oil bigardeFL/FR
 neroli oil CO2 extractFL/FR
 phenethyl anthranilateFL/FR
 satinaldehydeFL/FR
fruity
 cyclohexyl anthranilateFL/FR
 ethyl anthranilateFL/FR
 methyl anthranilateFL/FR
 nerolin fragarolFL/FR
bitter orange peel oil brazilFL/FR
green
(E,Z)-2,6-dodecadienalFL/FR
alpha-farneseneFL/FR
 heptanal dimethyl acetalFL/FR
 methyl octanoateFL/FR
 nerol oxideFL/FR
 neryl butyrateFL/FR
 octyl formateFL/FR
herbal
 rue oilFL/FR
medicinal
 ethyl benzoateFL/FR
minty
 betula lenta bark oil americaFL/FR
 ethyl salicylateFL/FR
 methyl salicylateFL/FR
 wintergreen oilFL/FR
naphthyl
beta-naphthyl methyl etherFL/FR
phenolic
 methyl benzoateFL/FR
powdery
beta-naphthyl ethyl etherFL/FR
ripe
(E)-4-decenalFL/FR
spicy
2-hydroxybenzaldehydeFL/FR
4-methyl biphenylFL
waxy
 decanal (aldehyde C-10)FL/FR
 decanal diethyl acetalFL/FR
 decanolFL/FR
(E)-2-dodecenalFL/FR
 nonanolFL/FR
2-nonanolFL/FR
 octanolFL/FR
 phenoxyethyl propionateFL/FR
(E)-2-undecenalFL/FR
2-undecenalFL/FR
woody
alpha-terpinyl methyl etherFL/FR
 
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Potential Uses:
 aldehydicFR
 mimosaFR
 myrrhFR
 resedaFR
 wintergreenFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 benzoic acid nonyl ester
 benzoic acid, nonyl ester
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