phenethyl heptanoate
heptanoic acid, 2-phenylethyl ester
 
Notes:
None found
  • SRS Aromatics
    • SRS Aromatics Ltd
      For over 25 years
      Bringing flavour and fragrance into your world.
      As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply.
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      Product(s):
      PHENYL ETHYL HEPTANOATE
       
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2-phenylethyl heptanoate (Click)
CAS Number: 5454-11-5Picture of molecule
ECHA EINECS - REACH Pre-Reg: 226-701-3
Nikkaji Web: J155.070E
CoE Number: 596
XlogP3-AA: 4.50 (est)
Molecular Weight: 234.33874000
Formula: C15 H22 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.03400 @  25.00 °C.
Refractive Index: 1.48050 @  25.00 °C.
Boiling Point: 321.00 to  322.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.000305 mm/Hg @ 25.00 °C. (est)
Flash Point: 237.00 °F. TCC ( 113.89 °C. )
logP (o/w): 4.846 (est)
Soluble in:
 alcohol
 water, 1.467 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl heptanoate
amyl heptanoate
isoamyl heptanoate
benzyl 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
prenyl heptanoate
propyl heptanoate
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Organoleptic Properties:
Odor Type: floral
Odor Strength: medium
 floral  rose  apricot  
Odor Description:
at 100.00 %. 
floral rose apricot
  
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Heptanoic acid,2-phenylethyl ester
Grau Aromatics
PHENYLETHYL-HEPTANOATE
SRS Aromatics
PHENYL ETHYL HEPTANOATE
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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 phenethyl heptanoate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 5454-11-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 79552
National Institute of Allergy and Infectious Diseases: Data
 2-phenylethyl heptanoate
Chemidplus: 0005454115
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References:
 2-phenylethyl heptanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 79552
Pubchem (sid): 135037548
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: 2915.90.8000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
balsamic
3-phenyl propyl cinnamateFL/FR
citrus
bitter orange peel oil brazilFL/FR
ethereal
 decyl propionateFL/FR
 ethyl formateFL/FR
fermented
isobutyl decanoateFL/FR
 hexanal diethyl acetalFL/FR
3-methyl-1-pentanolFL/FR
floral
 benzyl isobutyrateFL/FR
 butyl nonanoateFL/FR
 cassis buteneoneFR
 citronellal diisotridecyl acetalFR
 citronellyl acetateFL/FR
 citronellyl anthranilateFL/FR
 citronellyl formateFL/FR
 citronellyl hexanoateFL/FR
(E)-citronellyl tiglateFL/FR
beta-damascenoneFL/FR
delta-damasconeFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 ethyl linalyl acetateFR
 ethyl ortho-anisateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 geranyl propionateFL/FR
 geranyl valerateFL/FR
 heptyl propionateFL/FR
 jasmin lactone (IFF)FL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl propionateFL/FR
2-phenethyl valerateFL/FR
1-phenyl propyl butyrateFL/FR
 rhodinyl butyrateFL/FR
 allyl isononylateFR
 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
2-butanolFL/FR
 butyl 2-decenoateFL/FR
 decen-1-yl cyclopentanoneFL/FR
 dihydroactinidolideFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
(E)-ethyl tiglateFL/FR
 fruity cyclopentanoneFR
 geranyl butyrateFL/FR
4-heptanoneFL/FR
 heptyl isobutyrateFL/FR
 linalyl valerateFL/FR
 octyl formateFL/FR
 peach cyclopentanoneFR
2-phenyl propyl butyrateFL/FR
 propyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
green
 benzyl hexanoateFL/FR
 heptyl acetateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
 hexyl phenyl acetateFL/FR
herbal
 anthemis nobilis flower oil romanFL/FR
 geranium cyclohexaneFR
 geranyl octanoateFL/FR
 linalyl formateFL/FR
 linalyl isovalerateFL/FR
honey
 propyl phenyl acetateFL/FR
soapy
 ethyl undecanoateFL/FR
waxy
 dihydrocitronellyl acetateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
winey
 butyl angelateFL/FR
woody
 santalyl butyrateFL/FR
 
For Flavor
 
No flavor group found for these
 allyl cyclohexyl valerateFL
 amyl isobutyrateFL/FR
 amyl propionateFL/FR
 benzyl heptanoateFL/FR
 benzyl hexanoateFL/FR
2-butanolFL/FR
 butyl angelateFL/FR
isobutyl decanoateFL/FR
 butyl nonanoateFL/FR
 citronellyl anthranilateFL/FR
 decyl propionateFL/FR
 dihydroactinidolideFL/FR
 dihydrocitronellyl acetateFL/FR
 ethyl ortho-anisateFL/FR
 geranyl octanoateFL/FR
 geranyl valerateFL/FR
 hexanal diethyl acetalFL/FR
 jasmin lactone (IFF)FL/FR
 linalyl formateFL/FR
 linalyl isovalerateFL/FR
 linalyl valerateFL/FR
 octyl formateFL/FR
 phenethyl propionateFL/FR
2-phenethyl valerateFL/FR
1-phenyl propyl butyrateFL/FR
3-phenyl propyl cinnamateFL/FR
 santalyl butyrateFL/FR
alliaceous
 allyl propionateFL/FR
aromatic
 dimethyl benzyl carbinyl acetateFL/FR
berry
 heptyl isobutyrateFL/FR
creamy
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
ethereal
 ethyl formateFL/FR
floral
 citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
fruity
isoamyl isobutyrateFL/FR
 benzyl butyrateFL/FR
 benzyl isobutyrateFL/FR
 butyl 2-decenoateFL/FR
 citronellyl formateFL/FR
 decen-1-yl cyclopentanoneFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
(E)-ethyl tiglateFL/FR
2-furyl pentyl ketoneFL
 geranyl butyrateFL/FR
4-heptanoneFL/FR
 heptyl propionateFL/FR
 hexyl phenyl acetateFL/FR
bitter orange peel oil brazilFL/FR
 phenethyl isovalerateFL/FR
 propyl butyrateFL/FR
 rhodinyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
green
 heptyl acetateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
4-methyl-2-pentenalFL
herbal
 anthemis nobilis flower oil romanFL/FR
honey
 phenethyl isobutyrateFL/FR
 propyl phenyl acetateFL/FR
leafy
(E)-citronellyl tiglateFL/FR
spicy
2-phenyl propyl butyrateFL/FR
waxy
isoamyl butyrateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 ethyl undecanoateFL/FR
 geranyl propionateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
winey
isoamyl nonanoateFL/FR
beta-damascenoneFL/FR
delta-damasconeFL/FR
 
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Potential Uses:
 apricotFR
 floralFR
 fruitFR
 roseFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 heptanoic acid 2-phenethyl ester
 heptanoic acid 2-phenyl ethyl ester
 heptanoic acid, 2-phenylethyl ester
2-phenethyl heptanoate
 phenethyl heptylate
 phenyl ethyl heptanoate
2-phenyl ethyl heptanoate
 phenyl ethyl heptylate
2-phenylethyl heptanoate
 phenylethyl-heptanoate
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