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

phenethyl heptanoate
heptanoic acid, 2-phenylethyl ester

Sponsors

Name:2-phenylethyl heptanoate
CAS Number: 5454-11-5Picture of molecule3D/inchi
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:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
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
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
floral rose apricot
Odor Description:at 100.00 %. floral rose apricot
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Heptanoic acid,2-phenylethyl ester
Grau Aromatics
PHENYLETHYL-HEPTANOATE
SRS Aromatics
PHENYL ETHYL HEPTANOATE
 
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
Recommendation for phenethyl heptanoate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
 
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
 
References:
 2-phenylethyl heptanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):79552
Pubchem (sid):135037548
Pherobase:View
 
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
 
Potential Blenders and core components note
For Odor
aldehydic
6,7,8-
decen-1-ol
FR
nonanal diethyl acetal
FL/FR
balsamic
3-
phenyl propyl cinnamate
FL/FR
chocolate
iso
amyl phenyl acetate
FL/FR
citrus
abronia fragrance
FR
citronitrile (Symrise)
FR
bitter
orange peel oil brazil
FL/FR
ethereal
decyl propionate
FL/FR
ethyl formate
FL/FR
fermented
iso
butyl decanoate
FL/FR
hexanal diethyl acetal
FL/FR
3-
methyl-1-pentanol
FL/FR
floral
iso
amyl undecylenate
FL/FR
benzyl alcohol
FL/FR
benzyl isobutyrate
FL/FR
butyl nonanoate
FL/FR
cassis buteneone
FR
citronellal diisotridecyl acetal
FR
laevo-
citronellol
FL/FR
citronellyl acetate
FL/FR
citronellyl anthranilate
FL/FR
citronellyl formate
FL/FR
citronellyl hexanoate
FL/FR
(E)-
citronellyl tiglate
FL/FR
beta-
damascenone
FL/FR
delta-
damascone
FL/FR
(Z)-alpha-
damascone
FL/FR
gamma-
damascone
FR
dimethyl benzyl carbinyl acetate
FL/FR
ethyl linalyl acetate
FR
ethyl ortho-anisate
FL/FR
ethyl phenoxyacetate
FR
farnesyl acetate
FL/FR
floral pyran
FR
geraniol
FL/FR
geranium oil egypt
FL/FR
geranium oil egypt fractions
FR
geranium oil terpeneless
FL/FR
geranium petiole oil india
FL/FR
geranium rose oil
FL/FR
geranium rose-scented oil cuba
FR
geranyl acetate
FL/FR
geranyl isobutyrate
FL/FR
(E)-
geranyl linalool
FL/FR
geranyl propionate
FL/FR
geranyl valerate
FL/FR
glycoacetal
FR
hawthorn ethanol
FR
heptyl propionate
FL/FR
jasmin lactone (IFF)
FL/FR
2-
methyl octanal
FL/FR
musk acetate
FR
neryl acetate
FL/FR
neryl isovalerate
FL/FR
nonanol
FL/FR
octyl isovalerate
FL/FR
peony alcohol
FR
phenethyl alcohol
FL/FR
phenethyl anthranilate
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
phenethyl lactate
FL/FR
phenethyl propionate
FL/FR
phenethyl salicylate
FL/FR
2-
phenethyl valerate
FL/FR
phenyl acetaldehyde digeranyl acetal
FR
1-
phenyl propyl butyrate
FL/FR
primrose fragrance
FR
rhodinol substitues
FL/FR
rhodinyl acetate substitutes
FL/FR
rhodinyl butyrate
FL/FR
rosa alba flower oil CO2 extract
FR
rose absolute (rosa centifolia)
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
rose absolute (rosa damascena) turkey
FL/FR
rose absolute pentanol
FR
rose acetate
FR
rose blossom pentanol
FR
rose butanoate
FL/FR
rose concrete (rosa centifolia)
FR
rose concrete (rosa damascena)
FR
rose oil (rosa centifolia) egypt
FL/FR
rose oil (rosa damascena) bulgaria
FL/FR
rose oil (rosa damascena) iran
FL/FR
rose oil (rosa damascena) turkey
FL/FR
rose oil replacer
FR
rose pyran
FR
2-
undecen-1-ol
FL/FR
(E)-2-
undecen-1-ol
FL/FR
fruity
allyl isononylate
FR
allyl propionate
FL/FR
iso
amyl butyrate
FL/FR
iso
amyl isobutyrate
FL/FR
amyl isobutyrate
FL/FR
iso
amyl nonanoate
FL/FR
amyl propionate
FL/FR
apricot isobutyrate
FR
benzyl butyrate
FL/FR
benzyl heptanoate
FL/FR
2-
butanol
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
ethyl para-methyl-beta-phenyl glycidate
FR
(E)-
ethyl tiglate
FL/FR
fruity cyclopentanone
FR
geranyl butyrate
FL/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
plum crotonate
FR
propyl butyrate
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
2-
heptyl tetrahydrofuran
FR
(E)-2-
hexen-1-yl valerate
FL/FR
hexyl phenyl acetate
FL/FR
[(4E,4Z)-5-
methoxy-3-methyl-4-penten-1-yl] benzene
FR
phenyl acetaldehyde dimethyl acetal
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
chamomile valerate
FR
geranium cyclohexane
FR
geranyl octanoate
FL/FR
linalyl formate
FL/FR
linalyl isovalerate
FL/FR
laevo-
menthyl propionate
FL/FR
rose oil (rosa centifolia) morocco
FL/FR
honey
propyl phenyl acetate
FL/FR
powdery
para-
anisyl alcohol
FL/FR
soapy
ethyl undecanoate
FL/FR
spicy
maja fragrance
FR
pepper hexanone
FR
waxy
dihydrocitronellyl acetate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
winey
butyl angelate
FL/FR
woody
santalyl butyrate
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
2-
butanol
FL/FR
butyl angelate
FL/FR
iso
butyl decanoate
FL/FR
butyl nonanoate
FL/FR
(Z)-alpha-
damascone
FL/FR
iso
decanal
FL/FR
decyl propionate
FL/FR
dihydroactinidolide
FL/FR
dihydrocitronellyl acetate
FL/FR
ethyl ortho-anisate
FL/FR
(E)-
geranyl linalool
FL/FR
geranyl octanoate
FL/FR
geranyl valerate
FL/FR
3-
heptyl acetate
FL
hexanal diethyl acetal
FL/FR
jasmin lactone (IFF)
FL/FR
linalyl formate
FL/FR
linalyl valerate
FL/FR
laevo-
menthyl propionate
FL/FR
2-
methyl octanal
FL/FR
nonanal diethyl acetal
FL/FR
octyl isovalerate
FL/FR
phenethyl lactate
FL/FR
2-
phenethyl valerate
FL/FR
1-
phenyl propyl butyrate
FL/FR
rhodinyl acetate substitutes
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
rose absolute (rosa damascena) turkey
FL/FR
santalyl butyrate
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
rhodinol substitues
FL/FR
creamy
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
ethereal
ethyl formate
FL/FR
floral
iso
amyl phenyl acetate
FL/FR
laevo-
citronellol
FL/FR
citronellyl acetate
FL/FR
citronellyl hexanoate
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
farnesyl acetate
FL/FR
geraniol
FL/FR
geranium oil egypt
FL/FR
geranium oil terpeneless
FL/FR
geranium petiole oil india
FL/FR
geranium rose oil
FL/FR
geranyl isobutyrate
FL/FR
neryl acetate
FL/FR
phenethyl alcohol
FL/FR
phenethyl anthranilate
FL/FR
phenethyl propionate
FL/FR
rhodinyl butyrate
FL/FR
rose absolute (rosa centifolia)
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose oil (rosa centifolia) egypt
FL/FR
rose oil (rosa damascena) bulgaria
FL/FR
rose oil (rosa damascena) iran
FL/FR
rose oil (rosa damascena) turkey
FL/FR
fruity
iso
amyl isobutyrate
FL/FR
para-
anisyl alcohol
FL/FR
benzyl alcohol
FL/FR
benzyl butyrate
FL/FR
benzyl isobutyrate
FL/FR
butyl 2-decenoate
FL/FR
citronellyl anthranilate
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
(E)-
ethyl tiglate
FL/FR
2-
furyl pentyl ketone
FL
geranyl butyrate
FL/FR
4-
heptanone
FL/FR
heptyl propionate
FL/FR
hexyl phenyl acetate
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
rose butanoate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
green
(E)-
citronellyl tiglate
FL/FR
geranyl acetate
FL/FR
heptyl acetate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
4-
methyl-2-pentenal
FL
octyl formate
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
rose oil (rosa centifolia) morocco
FL/FR
honey
phenethyl isobutyrate
FL/FR
propyl phenyl acetate
FL/FR
medicinal,
phenethyl salicylate
FL/FR
spicy
2-
phenyl propyl butyrate
FL/FR
3-
phenyl propyl cinnamate
FL/FR
waxy
iso
amyl butyrate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
ethyl undecanoate
FL/FR
geranyl propionate
FL/FR
nonanol
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
winey
iso
amyl nonanoate
FL/FR
woody
beta-
damascenone
FL/FR
delta-
damascone
FL/FR
 
Potential Uses:
FRapricot
FRfloral
FRfruit
FRrose
 
Occurrence (nature, food, other):note
 not found in nature
 
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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