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

hawthorn acetate
anisimal (IFF)

Supplier Sponsors

Name:3-phenylbut-3-enyl acetate
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
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
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
 
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 sample from: International Flavors & Fragrances Inc.
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
ACETIC ACID 3-PHENYL-BUT-3-ENYL ESTER
 
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:
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.
 
Safety References:
EPI System: View
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
 
References:
 3-phenylbut-3-enyl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7306-12-9
Pubchem (cid):81739
Pubchem (sid):135037169
 
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
 
Potential Blenders and core components note
For Odor
anise
anise seed oil
FL/FR
star
anise seed oil china
FL/FR
anise seed oil colombia
FL/FR
star
anise seed oil terpeneless
FL/FR
sweet
fennel absolute
FL/FR
anisic
ortho-
acetanisole
FL/FR
para-
acetanisole
FL/FR
amyl furoate
FL/FR
ortho-
anisaldehyde
FL/FR
para-
anisaldehyde
FL/FR
para-
anisyl phenyl acetate
FL/FR
para-
anisyl propanal
FR
sweet
basil flower oil
FR
dihydroanethol
FL/FR
ethyl para-anisate
FL/FR
methyl 4-methyl benzoate
FL/FR
ocimum basilicum herb oil
FL/FR
3-
pentyl bicyclo[3.2.1]octan-2-one
FR
sassafras acetate
FL/FR
balsamic
1-
benzoyl acetone
FL/FR
floral
acetophenone
FL/FR
para-
anisaldehyde / methyl anthranilate schiff's base
FR
para-
anisaldehyde dimethyl acetal
FR
anise indene
FR
para-
anisyl acetaldehyde
FL/FR
para-
anisyl butyrate
FL/FR
para-
anisyl nitrile
FR
anisyl propanal / methyl anthranilate schiff's base
FR
autumn carboxylate
FR
cananga oil
FL/FR
cananga oil china
FL/FR
citronellyl acetone
FL/FR
cyclohexyl salicylate
FR
dihydrogeranyl linalool
FR
earthy indane
FR
para-
ethyl acetophenone
FL/FR
floral undecenone
FR
hawthorn carbinol
FL/FR
heliotropyl acetate
FL/FR
beta-
ionol
FL/FR
ortho-
methyl acetophenone
FL/FR
para-
methyl acetophenone
FL/FR
(R)-2-
phenyl propyl alcohol
FL/FR
1-
phenyl propyl alcohol
FL/FR
3-
phenyl propyl propionate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
(Z,E)-
phytol
FL/FR
propiophenone
FL/FR
iso
propyl anthranilate
FL/FR
fruity
para-
anisyl methyl ketone
FL/FR
berry hexanoate
FR
cyclohexyl crotonate
FR
(E,E)-
ethyl sorbate
FL/FR
green
(Z)-3-
hexen-1-yl benzoate
FL/FR
tiglaldehyde
FL/FR
herbal
acorn acetate
FR
american
elder flower absolute
FR
floral nitrile
FR
licorice
(E)-
anethol
FL/FR
minty
bitter
fennel seed oil lithuania
CS
naphthyl
beta-
naphthyl methyl ether
FL/FR
powdery
para-
anisyl alcohol
FL/FR
smoky
propyl paraben
CS
spicy
homo
anisaldehyde
FL/FR
woody
patchouli ethanone
FR
For Flavor
No flavor group found for these
amyl furoate
FL/FR
homo
anisaldehyde
FL/FR
para-
anisyl acetaldehyde
FL/FR
1-
benzoyl acetone
FL/FR
citronellyl acetone
FL/FR
para-
ethyl acetophenone
FL/FR
4-
ethyl anisole
FL
methyl 4-methyl benzoate
FL/FR
(R)-2-
phenyl propyl alcohol
FL/FR
3-
phenyl propyl propionate
FL/FR
iso
propyl anthranilate
FL/FR
4'-
hydroxyacetophenone
FL
anise
anise
(E)-
anethol
FL/FR
anise seed oil
FL/FR
star
anise seed oil china
FL/FR
anise seed oil colombia
FL/FR
star
anise seed oil terpeneless
FL/FR
ethyl para-anisate
FL/FR
sweet
fennel absolute
FL/FR
anisic
para-
acetanisole
FL/FR
ortho-
anisaldehyde
FL/FR
para-
anisyl butyrate
FL/FR
para-
anisyl phenyl acetate
FL/FR
ortho-
methyl acetophenone
FL/FR
balsamic
1-
phenyl propyl alcohol
FL/FR
(Z,E)-
phytol
FL/FR
creamy
para-
anisaldehyde
FL/FR
para-
methyl acetophenone
FL/FR
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
floral
cananga oil
FL/FR
cananga oil china
FL/FR
heliotropyl acetate
FL/FR
beta-
ionol
FL/FR
pseudo
ionone
FL
fruity
para-
anisyl alcohol
FL/FR
(E,E)-
ethyl sorbate
FL/FR
propiophenone
FL/FR
tiglaldehyde
FL/FR
herbal
dihydroanethol
FL/FR
ocimum basilicum herb oil
FL/FR
licorice
2-
butyl-3-methyl pyrazine
FL
naphthyl
beta-
naphthyl methyl ether
FL/FR
powdery
ortho-
acetanisole
FL/FR
acetophenone
FL/FR
powdery ketone
FL
spicy
para-
anisyl methyl ketone
FL/FR
hawthorn carbinol
FL/FR
tarragon
sassafras acetate
FL/FR
waxy
4-
phenyl-3-buten-2-ol
FL/FR
 
Potential Uses:
FRbalsam
FRhawthorn
FRhay new mown hay
FRheliotrope
FRherbal
FRlilac
FRmimosa
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 

Articles:

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Notes:
Anisyl or cinnamyl esters replacer.
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