4-phenyl-3-buten-2-ol
4-phenylbut-3-en-2-ol
 
Notes:
Used as a food additive [EAFUS] Flavouring ingredient
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4-phenylbut-3-en-2-ol (Click)
CAS Number: 17488-65-2Picture of molecule
Other: 123536-30-1
ECHA EINECS - REACH Pre-Reg: 241-501-6
FDA UNII: IIV76T367H
Beilstein Number: 2040727
CoE Number: 2032
XlogP3-AA: 2.10 (est)
Molecular Weight: 148.20484000
Formula: C10 H12 O
NMR Predictor: Predict (works with chrome or firefox)
(E)-4-phenylbut-3-en-2-ol (Click)
CAS Number: 36004-04-3Picture of molecule
Nikkaji Web: J28.644C
XlogP3-AA: 2.10 (est)
Molecular Weight: 148.20484000
Formula: C10 H12 O
NMR Predictor: Predict (works with chrome or firefox)
(Z)-4-phenylbut-3-en-2-ol (Click)
CAS Number: 31915-95-4Picture of molecule
FDA UNII: 59SJ957IUM
Nikkaji Web: J474.278H
XlogP3-AA: 2.10 (est)
Molecular Weight: 148.20484000
Formula: C10 H12 O
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
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
IBM Patents: Obtain
Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 819  4-phenyl-3-buten-2-ol
Flavis Number: 02.066 (Old)
DG SANTE Food Flavourings: 02.066  4-phenylbut-3-en-2-ol
FEMA Number: 2880  4-phenyl-3-buten-2-ol
FDA Mainterm: 4-PHENYL-3-BUTEN-2-OL
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless clear oily liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.00600 to 1.01200 @  25.00 °C.
Pounds per Gallon - (est).: 8.371 to  8.421
Refractive Index: 1.55800 to 1.56700 @  20.00 °C.
Boiling Point: 140.00 °C. @ 12.00 mm Hg
Vapor Pressure: 0.004000 mm/Hg @ 25.00 °C. (est)
Flash Point: 252.00 °F. TCC ( 122.22 °C. )
logP (o/w): 2.043 (est)
Soluble in:
 alcohol
 water, 2935 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: floral
Odor Strength: medium
 sweet  fruity  floral  balsamic  
Odor Description:
at 100.00 %. 
sweet fruity floral balsam
 waxy  grape  floral  sweet  
Taste Description:
at 25.00 ppm in ethyl alcohol.  
waxy, concord grape, floral, sweet
  
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
4-Phenyl-3-buten-2-ol
Parchem
4-phenyl-3-buten-2-ol
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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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:
oral-rat LD50  2400 ul/kg

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 4-phenyl-3-buten-2-ol usage levels up to:
  0.2000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 2.30 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (μg/capita/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: -20.00000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -20.00000
fruit ices: -20.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.0300020.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of aromatic substituted secondary alcohols, ketones, and related esters used as flavor ingredients.View pdf
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Scientific Opinion on Flavouring Group Evaluation 215 (FGE.215): Seven a,-Unsaturated Cinnamyl Ketones from subgroup 3.2 of FGE.19
View page or View pdf
EPI System: View
Env. Mutagen Info. Center: Search
EPA Substance Registry Services (TSCA): 17488-65-2
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 15172
National Institute of Allergy and Infectious Diseases: Data
 4-phenylbut-3-en-2-ol
Chemidplus: 0017488652
 (E)-4-phenylbut-3-en-2-ol
Chemidplus: 017488652
 (Z)-4-phenylbut-3-en-2-ol
Chemidplus: 0031915954
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References:
 4-phenylbut-3-en-2-ol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 17488-65-2
Pubchem (cid): 15172
Pubchem (sid): 158493
Pherobase: View
 (E)-4-phenylbut-3-en-2-ol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 36004-04-3
Pubchem (cid): 5369489
Pubchem (sid): 204610
 (Z)-4-phenylbut-3-en-2-ol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 31915-95-4
Pubchem (cid): 11469151
Pubchem (sid): 42548086
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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
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB31616
FooDB: FDB008254
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
balsamic
 benzyl cinnamateFL/FR
(E)-cinnamyl butyrateFL/FR
 cinnamyl butyrateFL/FR
 cinnamyl formateFL/FR
 hexyl cinnamateFR
 octyl benzoateFR
 phenyl salicylateFR
 terpinyl butyrateFL/FR
citrus
2-heptanolFL/FR
fatty
 butyl undecylenateFL/FR
4-ethyl octanoic acidFL/FR
fermented
 methyl decanoateFL/FR
floral
 acetal 318FR
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
alpha-amyl cinnamyl acetateFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl acetoneFL/FR
 benzyl formateFL/FR
 citronellyl acetoneFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 cyclohexyl salicylateFR
 dihydrogeranyl linaloolFR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 floral undecenoneFR
 geraniolFL/FR
beta-ionolFL/FR
 menthadienyl formateFR
 methoxymelonalFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
3-nonanon-1-yl acetateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 petitgrain lemon oilFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl alcoholFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
3-phenyl propyl propionateFL/FR
(Z,E)-phytolFL/FR
isopropyl benzoateFL/FR
 rose undeceneFR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
fruity
 benzaldehyde / methyl anthranilate schiff's baseFR
 berry hexanoateFR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 citronellyl isobutyrateFL/FR
 cyclohexyl crotonateFR
beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
 eriocephalus punctulatus flower oilFR
 ethyl levulinateFL/FR
 heptyl isobutyrateFL/FR
3-mercaptohexyl acetateFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl isobutyrateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
3-phenyl propyl isobutyrateFL/FR
 rhubarb pyranFR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
herbal
 chamomile isobutyrateFR
 chamomile propionateFR
 chamomile valerateFR
 clary propyl acetateFR
 methyl cyclogeranateFR
powdery
alpha-methyl iononeFL/FR
spicy
para-anisyl formateFL/FR
 cinnamyl propionateFL/FR
(E)-propyl 2-furan acrylateFL/FR
woody
2-decalinyl acetateFR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
 amyl angelateFL
isoamyl angelateFL/FR
2-butyl thiopheneFL
(E)-cinnamyl butyrateFL/FR
 cinnamyl formateFL/FR
 citronellyl acetoneFL/FR
(Z)-beta-damasconeFL/FR
2,4-difurfuryl furanFL
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
3-nonanon-1-yl acetateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
3-phenyl propyl propionateFL/FR
(Z,E)-phytolFL/FR
isopropyl benzoateFL/FR
 terpinyl butyrateFL/FR
aromatic
 dimethyl benzyl carbinyl acetateFL/FR
balsamic
1-phenyl propyl alcoholFL/FR
berry
 heptyl isobutyrateFL/FR
burnt
 ethyl 2-furoateFL
citrus
 petitgrain lemon oilFL/FR
earthy
alpha-amyl cinnamyl acetateFL/FR
ethereal
 methyl isobutyrateFL/FR
fatty
 butyl undecylenateFL/FR
4-ethyl octanoic acidFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
 benzyl acetoacetateFL/FR
 cinnamyl propionateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dihydrojasmoneFL/FR
 geraniolFL/FR
beta-ionolFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 tropical iononeFL/FR
fruity
 benzyl acetateFL/FR
 benzyl acetoneFL/FR
 benzyl formateFL/FR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
 ethyl levulinateFL/FR
2-heptanolFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
 methoxymelonalFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
 phenethyl isovalerateFL/FR
3-phenyl propyl isobutyrateFL/FR
2-phenyl-4-pentenalFL
(E)-propyl 2-furan acrylateFL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
(E)-beta-damasconeFL/FR
beta-damasconeFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
honey
 phenethyl isobutyrateFL/FR
leafy
(E)-citronellyl tiglateFL/FR
spicy
para-anisyl formateFL/FR
 benzyl cinnamateFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
3-mercaptohexyl acetateFL/FR
waxy
alpha-methyl iononeFL/FR
winey
 cinnamyl butyrateFL/FR
woody
 methyl ionyl acetateFL/FR
 
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Potential Uses:
 amberFR
 balsamFR
 candy 
 floralFR
 fruit 
 grape 
 hawthornFR
 waxy 
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Occurrence (nature, food, other): note
 monanthotaxis capea
Search Trop  Picture
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Synonyms:
3-buten-2-ol, 4-phenyl-
homocinnamyl alcohol
4-phenyl but-3-en-2-ol
(E)-4-phenyl qbut-3-en-2-ol
4-phenylbut-3-en-2-ol
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