benzyl heptanoate
heptanoic acid, phenylmethyl ester
 
Notes:
None found
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CAS Number: 5454-21-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 226-705-5
Nikkaji Web: J210.506C
XlogP3-AA: 4.10 (est)
Molecular Weight: 220.31180000
Formula: C14 H20 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.98000 @  25.00 °C.
Refractive Index: 1.49250 @  25.00 °C.
Boiling Point: 257.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est)
Flash Point: 224.00 °F. TCC ( 106.67 °C. )
logP (o/w): 4.545 (est)
Soluble in:
 alcohol
 water, 4.582 mg/L @ 25 °C (est)
Insoluble in:
 water
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allyl heptanoate
amyl heptanoate
isoamyl heptanoate
butyl heptanoate
isobutyl heptanoate
decyl heptanoate
ethyl 2-acetyl heptanoate
ethyl heptanoate
eugenyl heptanoate
furfuryl heptanoate
geranyl heptanoate
heptyl heptanoate
(Z)-3-hexen-1-yl heptanoate
hexyl heptanoate
methyl heptanoate
nonyl heptanoate
octyl heptanoate
phenethyl heptanoate
prenyl heptanoate
propyl heptanoate
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Organoleptic Properties:
 
Odor Type: fruity
 
 fruity  apricot  herbal  sage  
Odor Description:
at 100.00 %. 		mild fruity apricot herbal sage
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for benzyl heptanoate usage levels up to:
  2.0000 % in the fragrance concentrate.
 
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Safety References:
EPI System: View
AIDS Citations: Search
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EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 79554
National Institute of Allergy and Infectious Diseases: Data
 benzyl heptanoate
Chemidplus: 0005454217
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References:
 benzyl heptanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 79554
Pubchem (sid): 135037550
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
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
anisic
anisic
 amyl furoateFL/FR
balsamic
 opoponax oil (balsamodendron kafal)FL/FR
 opoponax resinoid (balsamodendron kafal)FR
3-phenyl propyl cinnamateFL/FR
 terpinyl cinnamateFL/FR
caramellic
 diethyl malateFL/FR
earthy
 amyl octanoateFL/FR
 octyl phenyl acetateFL/FR
 spathulenol 
ethereal
isoamyl acetoacetateFL/FR
isobutyl alcoholFL/FR
 decyl propionateFL/FR
 ethyl 4-pentenoateFL/FR
 ethyl formateFL/FR
2-methyl-1-butanolFL/FR
fatty
 butyl undecylenateFL/FR
(E)-2-decenalFL/FR
fermented
isobutyl decanoateFL/FR
 hexanal diethyl acetalFL/FR
 methyl decanoateFL/FR
3-methyl-1-pentanolFL/FR
floral
alpha-amyl cinnamaldehydeFL/FR
 anise indeneFR
 benzyl acetoneFL/FR
 butyl nonanoateFL/FR
 butyl tiglateFR
 cassis cyclohexeneFR
 citronellyl formateFL/FR
 coranol (Firmenich)FR
 dihydrolinaloolFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
3,6-dimethyl-3-octanolFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 geranyl isobutyrateFL/FR
 geranyl tiglateFL/FR
 heptyl propionateFL/FR
 jasmin lactone (IFF)FL/FR
laevo-linaloolFL/FR
dextro-linaloolFL/FR
 linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 menthadienyl formateFR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 nonan-3-yl acetateFL/FR
3-nonanoneFL/FR
 phenethyl heptanoateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
 rose undeceneFR
 tetrahydrolinaloolFL/FR
 allyl propionateFL/FR
isoamyl butyrateFL/FR
 amyl isobutyrateFL/FR
isoamyl isobutyrateFL/FR
isoamyl nonanoateFL/FR
 amyl propionateFL/FR
para-anisyl propionateFL/FR
para-anisyl valerateFL/FR
 apricot isobutyrateFR
 apricot mango fragranceFR
 benzyl butyrateFL/FR
 butyl 2-decenoateFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl hexanoateFL/FR
 decen-1-yl cyclopentanoneFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl sebacateFL/FR
 dihydroactinidolideFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
(R)-delta-dodecalactoneFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
2-ethyl-4-methyl-1,3-oxathiane 
 farnesyl acetoneFL/FR
 fruity cyclopentanoneFR
 geranyl acetoacetateFL/FR
4-heptanoneFL/FR
 heptyl isobutyrateFL/FR
beta-ionyl ethyl etherFR
 linalyl valerateFL/FR
para-menth-1-ene-9-olFL/FR
2-methyl butyl isovalerateFL/FR
 methyl nonanoateFL/FR
 peach cyclopentanoneFR
2-pentanoneFL/FR
2-pentyl butyrateFL/FR
2-phenyl propyl butyrateFL/FR
 propyl butyrateFL/FR
 propyl heptanoateFL/FR
 sorbyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
green
 benzaldehyde dimethyl acetalFL/FR
 benzyl hexanoateFL/FR
 butyl heptanoateFL/FR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
green cognac oilFL/FR
 coriander heptenolFL/FR
 heptyl acetateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
 hexyl isobutyrateFL/FR
 hexyl phenyl acetateFL/FR
 hexyl tiglateFL/FR
herbal
isoamyl heptanoateFL/FR
isoamyl tiglateFL/FR
 anthemis nobilis flower oil romanFL/FR
 buchu mercaptan acetateFL/FR
 butyl levulinateFL/FR
 chamomile propionateFR
 chamomile valerateFR
white cognac oilFL/FR
 cuminyl acetateFL/FR
 ethyl chrysanthemateFR
 linalyl isovalerateFL/FR
 linalyl octanoateFL/FR
1-para-menthen-9-yl acetateFL/FR
 methyl hexyl etherFL/FR
(1S,5R)-myrtenyl acetateFL/FR
3-octanon-1-olFL/FR
1,3-oxathiane, 2-ethyl-4,4-dimethyl-FR
beta-sesquiphellandrene 
 phenethyl senecioateFL/FR
 tricyclodecenyl propionateFR
 viridiflorolFL/FR
honey
 methyl hydrocinnamateFL/FR
 propyl phenyl acetateFL/FR
orris
 orris capronateFL/FR
soapy
 ethyl undecanoateFL/FR
spicy
 cubeb oilFL/FR
thujonic
 armoise oilFR
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
 allyl cyclohexyl valerateFL
 amyl furoateFL/FR
 amyl isobutyrateFL/FR
 amyl octanoateFL/FR
 amyl propionateFL/FR
isoamyl tiglateFL/FR
2-amyl-5 or 6-keto-1,4-dioxaneFL
para-anisyl propionateFL/FR
para-anisyl valerateFL/FR
 benzyl hexanoateFL/FR
 benzyl methyl tiglateFL
 butyl angelateFL/FR
isobutyl decanoateFL/FR
isobutyl heptanoateFL/FR
 butyl nonanoateFL/FR
isobutyraldehyde propylene glycol acetalFL
 coriander heptenolFL/FR
 cuminyl acetateFL/FR
 decyl propionateFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl malateFL/FR
 dihydroactinidolideFL/FR
(R)-delta-dodecalactoneFL/FR
 ethyl 4-pentenoateFL/FR
 ethyl aconitateFL
 ethyl linalyl etherFL/FR
2-ethyl-4-methyl-1,3-oxathiane 
 farnesyl acetoneFL/FR
 geranyl acetoacetateFL/FR
 hexanal diethyl acetalFL/FR
2-hexanolFL/FR
 jasmin lactone (IFF)FL/FR
dextro-linaloolFL/FR
 linalyl valerateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 methyl hydrocinnamateFL/FR
 nonan-3-yl acetateFL/FR
3-octanon-1-olFL/FR
 octyl phenyl acetateFL/FR
beta-sesquiphellandrene 
 phenethyl heptanoateFL/FR
 phenethyl senecioateFL/FR
1-phenyl propyl butyrateFL/FR
 sorbyl propionateFL
 spathulenol 
 viridiflorolFL/FR
acidic
(E)-2-hexenoic acidFL
alliaceous
 allyl propionateFL/FR
balsamic
 opoponax oil (balsamodendron kafal)FL/FR
berry
 heptyl isobutyrateFL/FR
citrus
 linaloolFL/FR
laevo-linaloolFL/FR
creamy
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
ethereal
isobutyl alcoholFL/FR
 ethyl formateFL/FR
 methyl hexyl etherFL/FR
2-methyl-1-butanolFL/FR
fatty
isoamyl laurateFL/FR
 methyl decanoateFL/FR
floral
 dihydrolinaloolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geranyl isobutyrateFL/FR
 geranyl tiglateFL/FR
 linalyl anthranilateFL/FR
 tetrahydrolinaloolFL/FR
fruity
isoamyl acetoacetateFL/FR
isoamyl isobutyrateFL/FR
 benzyl acetoneFL/FR
 benzyl butyrateFL/FR
 buchu mercaptan acetateFL/FR
 butyl 2-decenoateFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl heptanoateFL/FR
 butyl hexanoateFL/FR
 citronellyl formateFL/FR
 decen-1-yl cyclopentanoneFL/FR
 diethyl sebacateFL/FR
 dimethyl anthranilateFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
2-furyl pentyl ketoneFL
4-heptanoneFL/FR
 heptyl propionateFL/FR
 hexyl phenyl acetateFL/FR
 linalyl isovalerateFL/FR
 linalyl octanoateFL/FR
1-para-menthen-9-yl acetateFL/FR
2-methyl butyl isovalerateFL/FR
2-pentanoneFL/FR
2-pentyl butyrateFL/FR
 phenethyl isovalerateFL/FR
 propyl butyrateFL/FR
 sorbyl butyrateFL/FR
 terpinyl cinnamateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
fusel
white cognac oilFL/FR
green cognac oilFL/FR
green
 benzaldehyde dimethyl acetalFL/FR
isobutyl methyl ketoneFL/FR
 heptyl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
 hexyl isobutyrateFL/FR
 hexyl tiglateFL/FR
 linalool oxideFL/FR
4-methyl-2-pentenalFL
3-nonanoneFL/FR
herbal
isoamyl heptanoateFL/FR
 anthemis nobilis flower oil romanFL/FR
 butyl levulinateFL/FR
3,6-dimethyl-3-octanolFL/FR
para-menth-1-ene-9-olFL/FR
honey
 propyl phenyl acetateFL/FR
musty
 propionaldehydeFL
orris
 orris capronateFL/FR
spicy
 cubeb oilFL/FR
2-phenyl propyl butyrateFL/FR
3-phenyl propyl cinnamateFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl butyrateFL/FR
 butyl undecylenateFL/FR
(E)-2-decenalFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 ethyl undecanoateFL/FR
 propyl heptanoateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
winey
isoamyl nonanoateFL/FR
 methyl nonanoateFL/FR
woody
(1S,5R)-myrtenyl acetateFL/FR
 
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Potential Uses:
 apricotFR
 sageFR
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Occurrence (nature, food, other): note
 embreea rodigasiana
Search Trop  Picture
 rosa davurica flower
Search Trop  Picture
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Synonyms:
 benzyl N-heptanoate
 benzyl oenanthate
 heptanoic acid phenyl methyl ester
 heptanoic acid, phenylmethyl ester
 phenylmethyl heptanoate
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