hawthorn acetate
anisimal (IFF)
 
Notes:
Anisyl or cinnamyl esters replacer.
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      Product(s):
      7306-12-9 ACETIC ACID 3-PHENYL-BUT-3-ENYL ESTER
       
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CAS Number: 7306-12-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 230-755-3
Nikkaji Web: J212.302I
XlogP3-AA: 3.10 (est)
Molecular Weight: 190.24198000
Formula: C12 H14 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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Google Patents: Search
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 90.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.03000 to 1.03800 @  25.00 °C.
Pounds per Gallon - (est).: 8.571 to  8.637
Specific Gravity: 1.03100 to 1.03900 @  20.00 °C.
Pounds per Gallon - est.: 8.589 to 8.656
Refractive Index: 1.52100 to 1.52600 @  20.00 °C.
Boiling Point: 286.00 to  287.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.002000 mmHg @ 25.00 °C. (est)
Flash Point: > 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 2.843 (est)
Soluble in:
 alcohol
 water, 52.91 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium
 
Substantivity: 24 hour(s) at 100.00 %
 
 sweet  floral  anisic  acacia  hawthorn  balsamic  
Odor Description:
at 100.00 %. 
sweet floral anisyl acetate anisyl alcohol balsam
Luebke, William tgsc, (1986)
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
BOC Sciences
For experimental / research use only.
ACETIC ACID 3-PHENYL-BUT-3-ENYL ESTER
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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: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for hawthorn acetate usage levels up to:
  20.0000 % in the fragrance concentrate.
 
Recommendation for hawthorn acetate 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 Substance Registry Services (TSCA): 7306-12-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 81739
National Institute of Allergy and Infectious Diseases: Data
 3-phenylbut-3-enyl acetate
Chemidplus: 0007306129
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References:
 3-phenylbut-3-enyl acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 7306-12-9
Pubchem (cid): 81739
Pubchem (sid): 135037169
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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: 2915.39.9050
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 dehydro-ar-ionene 
anise
 anise seed oilFL/FR
star anise seed oil chinaFL/FR
 anise seed oil colombiaFL/FR
star anise seed oil terpenelessFL/FR
sweet fennel absoluteFL/FR
anisic
ortho-acetanisoleFL/FR
para-acetanisoleFL/FR
 amyl furoateFL/FR
ortho-anisaldehydeFL/FR
para-anisaldehydeFL/FR
para-anisyl phenyl acetateFL/FR
para-anisyl propanalFR
sweet basil flower oilFR
 dihydroanetholFL/FR
 ethyl para-anisateFL/FR
 methyl 4-methyl benzoateFL/FR
 ocimum basilicum herb oilFL/FR
3-pentyl bicyclo[3.2.1]octan-2-oneFR
 sassafras acetateFL/FR
balsamic
1-benzoyl acetoneFL/FR
floral
 acetophenoneFL/FR
para-anisaldehyde / methyl anthranilate schiff's baseFR
para-anisaldehyde dimethyl acetalFR
 anise indeneFR
para-anisyl acetaldehydeFL/FR
para-anisyl butyrateFL/FR
para-anisyl nitrileFR
 anisyl propanal / methyl anthranilate schiff's baseFR
 autumn carboxylateFR
 cananga oilFL/FR
 cananga oil chinaFL/FR
 citronellyl acetoneFL/FR
 cyclohexyl salicylateFR
 dihydrogeranyl linaloolFR
 earthy indaneFR
para-ethyl acetophenoneFL/FR
 floral undecenoneFR
 hawthorn carbinolFL/FR
 heliotropyl acetateFL/FR
beta-ionolFL/FR
ortho-methyl acetophenoneFL/FR
para-methyl acetophenoneFL/FR
(R)-2-phenyl propyl alcoholFL/FR
1-phenyl propyl alcoholFL/FR
3-phenyl propyl propionateFL/FR
4-phenyl-3-buten-2-olFL/FR
(Z,E)-phytolFL/FR
 propiophenoneFL/FR
isopropyl anthranilateFL/FR
fruity
para-anisyl methyl ketoneFL/FR
 berry hexanoateFR
 cyclohexyl crotonateFR
(E,E)-ethyl sorbateFL/FR
green
(Z)-3-hexen-1-yl benzoateFL/FR
 tiglaldehydeFL/FR
herbal
 acorn acetateFR
american elder flower absoluteFR
 floral nitrileFR
licorice
(E)-anetholFL/FR
minty
bitter fennel flower oil lithuania 
bitter fennel seed oil lithuaniaCS
naphthyl
beta-naphthyl methyl etherFL/FR
powdery
para-anisyl alcoholFL/FR
smoky
 propyl parabenCS
spicy
homoanisaldehydeFL/FR
woody
 patchouli ethanoneFR
 
For Flavor
 
No flavor group found for these
 amyl furoateFL/FR
homoanisaldehydeFL/FR
para-anisyl acetaldehydeFL/FR
1-benzoyl acetoneFL/FR
 citronellyl acetoneFL/FR
 dehydro-ar-ionene 
para-ethyl acetophenoneFL/FR
4-ethyl anisoleFL
bitter fennel flower oil lithuania 
 methyl 4-methyl benzoateFL/FR
(R)-2-phenyl propyl alcoholFL/FR
3-phenyl propyl propionateFL/FR
isopropyl anthranilateFL/FR
4'-hydroxyacetophenoneFL
anise
(E)-anetholFL/FR
 anise seed oilFL/FR
star anise seed oil chinaFL/FR
 anise seed oil colombiaFL/FR
star anise seed oil terpenelessFL/FR
 ethyl para-anisateFL/FR
sweet fennel absoluteFL/FR
anisic
para-acetanisoleFL/FR
ortho-anisaldehydeFL/FR
para-anisyl butyrateFL/FR
para-anisyl phenyl acetateFL/FR
ortho-methyl acetophenoneFL/FR
balsamic
1-phenyl propyl alcoholFL/FR
(Z,E)-phytolFL/FR
creamy
para-anisaldehydeFL/FR
para-methyl acetophenoneFL/FR
fatty
(Z)-3-hexen-1-yl benzoateFL/FR
floral
 cananga oilFL/FR
 cananga oil chinaFL/FR
 heliotropyl acetateFL/FR
beta-ionolFL/FR
pseudoiononeFL
fruity
para-anisyl alcoholFL/FR
(E,E)-ethyl sorbateFL/FR
 propiophenoneFL/FR
 tiglaldehydeFL/FR
herbal
 dihydroanetholFL/FR
 ocimum basilicum herb oilFL/FR
licorice
2-butyl-3-methyl pyrazineFL
naphthyl
beta-naphthyl methyl etherFL/FR
powdery
ortho-acetanisoleFL/FR
 acetophenoneFL/FR
 powdery ketoneFL
spicy
para-anisyl methyl ketoneFL/FR
 hawthorn carbinolFL/FR
tarragon
 sassafras acetateFL/FR
waxy
4-phenyl-3-buten-2-olFL/FR
 
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Potential Uses:
 balsamFR
 hawthornFR
 hay new mown hayFR
 heliotropeFR
 herbalFR
 lilacFR
 mimosaFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 anisimal (IFF)
 hawthorn acetate
gamma-methylene dihydrocinnamyl acetate
3-phenyl but-3-enyl acetate
3-phenyl-3-buten-1-yl acetate
3-phenyl-3-butenyl acetate
3-phenylbut-3-enyl acetate
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