heptyl phenyl acetate
benzeneacetic acid, heptyl ester
 
Notes:
Blends well with woody notes.
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      Product(s):
      08-16900 HEPTYL PHENYL ACETATE
       
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CAS Number: 39736-25-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 254-609-3
Nikkaji Web: J184.049E
XlogP3: 4.80 (est)
Molecular Weight: 234.33874000
Formula: C15 H22 O2
BioActivity Summary: listing
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:
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.01500 @  25.00 °C.
Boiling Point: 265.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.000462 mmHg @ 25.00 °C. (est)
Flash Point: 229.00 °F. TCC ( 109.44 °C. )
logP (o/w): 4.968 (est)
Soluble in:
 alcohol
 water, 1.467 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl phenyl acetate
amyl phenyl acetate
isoamyl phenyl acetate
para-anisyl phenyl acetate
benzyl phenyl acetate
isobornyl phenyl acetate
butyl phenyl acetate
isobutyl phenyl acetate
cinnamyl phenyl acetate
citronellyl phenyl acetate
meta-cresyl phenyl acetate
para-cresyl phenyl acetate
cyclohexyl phenyl acetate
dimethyl octanyl phenyl acetate
ethyl phenyl acetate
eugenyl phenyl acetate
isoeugenyl phenyl acetate
furfuryl phenyl acetate
geranyl phenyl acetate
guaiacyl phenyl acetate
(E)-2-hexen-1-yl phenyl acetate
(Z)-3-hexen-1-yl phenyl acetate
hexyl phenyl acetate
linalyl phenyl acetate
menthyl phenyl acetate
laevo-menthyl phenyl acetate
methyl butyl phenyl acetate
methyl phenyl acetate
neryl phenyl acetate
nonyl phenyl acetate
octyl phenyl acetate
phenethyl phenyl acetate
phenyl propyl phenyl acetate
propyl 4-tert-butyl phenyl acetate
propyl phenyl acetate
isopropyl phenyl acetate
rhodinyl phenyl acetate
santalyl phenyl acetate
tetrahydrofurfuryl phenyl acetate
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Organoleptic Properties:
 
Odor Type: citrus
 
Odor Strength: medium
 
Substantivity: 348 hour(s) at 100.00 %
 
 lemongrass  sweet  verbena  foliage  honey  
Odor Description:
at 100.00 %. 
strong lemongrass sweet verbena foliage
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Penta International
HEPTYL PHENYL ACETATE
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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 heptyl phenyl acetate usage levels up to:
  4.0000 % in the fragrance concentrate.
 
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 39736-25-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 101315
National Institute of Allergy and Infectious Diseases: Data
 heptyl 2-phenylacetate
Chemidplus: 0039736259
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References:
 heptyl 2-phenylacetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 39736-25-9
Pubchem (cid): 101315
Pubchem (sid): 135057871
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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: 2916.35.1500
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 nonanal (aldehyde C-9)FL/FR
balsamic
 phenethyl cinnamateFL/FR
 propyl cinnamateFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
citrus
 lemongrass oil guatemalaFL/FR
 methyl heptenoneFL/FR
fatty
5-methyl-5-hexen-2-oneFL/FR
floral
 anisyl propanal / methyl anthranilate schiff's baseFR
 citronellyl benzoateFL/FR
 dimethyl benzyl carbinolFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 ocean propanal / methyl anthranilate schiff's baseFR
bitter orangeflower absolute moroccoFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
 phenyl amyl alcoholFL/FR
(R)-2-phenyl propyl alcoholFL/FR
4-phenyl-2-butanolFL/FR
isopropyl phenyl acetateFL/FR
 rhodinyl propionateFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
laevo-rose oxideFL/FR
green
2-isobutyl thiazoleFL/FR
 cumin acetaldehydeFL/FR
homocuminic aldehydeFR
 galbanum resinoidFL/FR
(Z)-3-hexen-1-olFL/FR
3-hexenalFL/FR
alpha-hexyl cinnamaldehyde dimethyl acetalFR
 hexyl heptanoateFL/FR
 hexyl phenyl acetateFL/FR
 hyacinth absoluteFL/FR
 hyacinth butanalFR
2,4-ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
 ivy carbaldehydeFL/FR
 ivy dioxolaneFR
english ivy leaf absoluteFR
 leafy oximeFR
 narcissus flower absoluteFR
2-nonyn-1-al dimethyl acetalFR
 phenethyl acetalFR
 phenethyl isopropyl etherFR
 phenoxyacetaldehyde 50% in benzyl alcoholFR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
isopropyl quinolineFR
herbal
 mistletoe absolute 
waxy
 allyl nonanoateFL/FR
woody
 guaiacwood oilFL/FR
 sandalwood oilFL/FR
 
For Flavor
 
No flavor group found for these
 citronellyl benzoateFL/FR
 hexyl heptanoateFL/FR
 hyacinth absoluteFL/FR
 ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
 mistletoe absolute 
 phenyl amyl alcoholFL/FR
(R)-2-phenyl propyl alcoholFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
aldehydic
 nonanal (aldehyde C-9)FL/FR
balsamic
 phenethyl cinnamateFL/FR
citrus
 lemongrass oil guatemalaFL/FR
 verbena oil franceFL
ethereal
5-methyl-5-hexen-2-oneFL/FR
floral
bitter orangeflower absolute moroccoFL/FR
4-phenyl-2-butanolFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
laevo-rose oxideFL/FR
fruity
 hexyl phenyl acetateFL/FR
 propyl cinnamateFL/FR
 rhodinyl propionateFL/FR
green
2-isobutyl thiazoleFL/FR
 cumin acetaldehydeFL/FR
 galbanum resinoidFL/FR
(Z)-3-hexen-1-olFL/FR
3-hexenalFL/FR
3,6-ivy carbaldehydeFL/FR
2,4-ivy carbaldehydeFL/FR
 methyl heptenoneFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
honey
isopropyl phenyl acetateFL/FR
medicinal
 dimethyl benzyl carbinolFL/FR
waxy
 allyl nonanoateFL/FR
woody
 guaiacwood oilFL/FR
 sandalwood oilFL/FR
 
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Potential Uses:
 cortexFR
 foliageFR
 guaiacwoodFL/FR
 lemonFR
 lemongrassFR
 verbenaFR
 woodyFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 benzene acetic acid heptyl ester
 benzeneacetic acid, heptyl ester
 heptyl 2-phenyl acetate
 heptyl 2-phenylacetate
 heptyl phenylacetate
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