4-phenyl-2-butanol
4-phenylbutan-2-ol

Sponsors

Name: 4-phenylbutan-2-ol
CAS Number: 2344-70-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 219-055-9
FDA UNII: SZ2IE5UDQR
Nikkaji Web: J1.806F
MDL: MFCD00044349
CoE Number: 85
XlogP3-AA: 2.30 (est)
Molecular Weight: 150.22078000
Formula: C10 H14 O
BioActivity Summary: listing
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
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 815 4-phenyl-2-butanol
Flavis Number: 02.036 (Old)
DG SANTE Food Flavourings: 02.036 4-phenylbutan-2-ol
FEMA Number: 2879 4-phenyl-2-butanol
FDA Mainterm: 4-PHENYL-2-BUTANOL
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.
 
Physical Properties:
Appearance: colorless clear oily liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 123.00 to 124.00 °C. @ 15.00 mm Hg
Boiling Point: 239.00 to 240.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.015000 mm/Hg @ 25.00 °C. (est)
Flash Point: 231.00 °F. TCC ( 110.56 °C. )
logP (o/w): 2.131 (est)
Soluble in:
 alcohol
 water, 1885 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength: medium
Substantivity: 44 hour(s) at 100.00 %
 floral peony foliage sweet mimosa heliotrope
Odor Description:
at 100.00 %.
floral peony foliage sweet mimosa heliotrope
Luebke, William tgsc, (2007)
Flavor Type: floral
 floral spicy magnolia mango green melon
Taste Description:
floral spicy magnolia mango green petal tropical melon
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfrebro
4-PHENYL-2-BUTANOL NATURAL
Odor: Aromatic, Floral
BOC Sciences
For experimental / research use only.
4-Phenyl-2-butanol
EMD Millipore
For experimental / research use only.
4-Phenyl-2-butanol
Ernesto Ventós
4-PHENYL-2-BUTANOL
Odor: FRUITY, FLORAL
Penta International
4-PHENYL-2-BUTANOL, Kosher
Reincke & Fichtner
4-Phenyl-2-butanol
Santa Cruz Biotechnology
For experimental / research use only.
4-Phenyl-2-butanol ≥98%
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Phenyl-2-butanol 97%
Synerzine
4-Phenyl-2-butanol
TCI AMERICA
For experimental / research use only.
4-Phenyl-2-butanol >99.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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 4-phenyl-2-butanol usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.30 (μg/capita/day)
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
 average usual ppmaverage maximum ppm
baked goods: 1.5000015.00000
beverages(nonalcoholic): 0.120000.90000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.600006.00000
fruit ices: 0.600006.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 1.5000015.00000
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: --
 
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):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 16 (FGE.16): Aromatic ketones from chemical group 21 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 16, Revision 1 (FGE.16Rev1)[1]: Aromatic ketones from chemical group 21- Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 69, (FGE.69)[1] - Consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting) structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16 (2006) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61302
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 4-phenylbutan-2-ol
Chemidplus: 0002344709
 
References:
 4-phenylbutan-2-ol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 2344-70-9
Pubchem (cid): 61302
Pubchem (sid): 135017447
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
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB31613
FooDB: FDB008249
Export Tariff Code: 2906.29.6000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
 
Potential Blenders and core components note
For Odor
aldehydic
muguet undecadienal
FR
anisic
para-
anisaldehyde
FL/FR
balsamic
benzyl cinnamate
FL/FR
cinnamyl alcohol
FL/FR
cinnamyl formate
FL/FR
phenethyl cinnamate
FL/FR
citrus
grapefruit pentanol
FR
heptyl phenyl acetate
FL/FR
lemongrass oil
FL/FR
fatty
2-
decenal
FL/FR
5-
methyl-5-hexen-2-one
FL/FR
floral
acetophenone
FL/FR
amyl benzoate
FL/FR
para-
anisaldehyde / methyl anthranilate schiff's base
FR
anisyl propanal / methyl anthranilate schiff's base
FR
alpha-
butyl cinnamaldehyde
FL/FR
citronellyl acetate
FL/FR
citronellyl propionate
FL/FR
para-
cresyl propionaldehyde
CS
cumin carbinol
FR
2',4'-
dimethyl acetophenone
FL/FR
dimethyl benzyl carbinol
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
6,8-
dimethyl-2-nonanol
FR
floral butanal
FR
geranium oil bourbon
FL/FR
geranyl acetone
FL/FR
geranyl isobutyrate
FL/FR
heliotrope absolute
FR
heliotropin
FL/FR
heliotropyl acetone
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
jasmin cyclopentanol
FR
iso
jasmone
FL/FR
jonquil absolute
FR
para-
methyl acetophenone
FL/FR
mimosa absolute france
FL/FR
mimosa heptanal
FR
neroli oil bigarde
FL/FR
nerolidol
FL/FR
(Z)-beta-
ocimene
FL/FR
orange leaf absolute
FL/FR
papaya isobutyrate
FL/FR
2-
pentadecanone
FL/FR
peony alcohol
FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
2-
phenyl propionaldehyde ethylene glycol acetal
FR
(R)-2-
phenyl propyl alcohol
FL/FR
3-
phenyl propyl propionate
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose butanoate
FL/FR
rose oil (rosa centifolia) egypt
FL/FR
rose oil (rosa damascena) iran
FL/FR
rose petal acetate
FR
styralyl formate
FL/FR
sweet pea absolute
FR
tuberose absolute (from pommade)
FL/FR
tuberose absolute chassis
FL/FR
verdyl acetate
FR
fruity
ethyl methyl-para-tolyl glycidate
FL/FR
prenyl acetate
FL/FR
green
homo
cuminic aldehyde
FR
galbanum resinoid
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
alpha-
hexyl cinnamaldehyde dimethyl acetal
FR
hexyl heptanoate
FL/FR
hexyl phenyl acetate
FL/FR
hyacinth absolute
FL/FR
hyacinth butanal
FR
ivy dioxolane
FR
english
ivy leaf absolute
FR
marigold pot absolute
FL/FR
para-
methyl hydratropaldehyde
FL/FR
methyl octine carbonate
FL/FR
2-
nonyn-1-al dimethyl acetal
FR
octanal dimethyl acetal
FL/FR
phenethyl isopropyl ether
FR
phenyl acetaldehyde dimethyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
clary sage absolute
FL/FR
alpha-
terpinyl acetate
FL/FR
licorice
(E)-
anethol
FL/FR
spicy
cinnamyl acetate
FL/FR
vanilla
vanillyl acetate
FL/FR
waxy
3-
decanone
FL/FR
For Flavor
No flavor group found for these
amyl benzoate
FL/FR
3-
decanone
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
heptyl phenyl acetate
FL/FR
hexyl heptanoate
FL/FR
hyacinth absolute
FL/FR
(R)-2-
phenyl propyl alcohol
FL/FR
3-
phenyl propyl propionate
FL/FR
styralyl formate
FL/FR
alpha-
butyl cinnamaldehyde
FL/FR
4'-
hydroxyacetophenone
FL
anise
anise
(E)-
anethol
FL/FR
balsamic
phenethyl cinnamate
FL/FR
berry
heliotropyl acetone
FL/FR
cherry
heliotropin
FL/FR
citrus
lemongrass oil
FL/FR
creamy
para-
anisaldehyde
FL/FR
para-
methyl acetophenone
FL/FR
ethereal
5-
methyl-5-hexen-2-one
FL/FR
fatty
2-
decenal
FL/FR
2-
pentadecanone
FL/FR
floral
citronellyl acetate
FL/FR
citronellyl propionate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geranium oil bourbon
FL/FR
geranyl acetone
FL/FR
geranyl isobutyrate
FL/FR
neroli oil bigarde
FL/FR
orange leaf absolute
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose oil (rosa centifolia) egypt
FL/FR
rose oil (rosa damascena) iran
FL/FR
tuberose absolute (from pommade)
FL/FR
tuberose absolute chassis
FL/FR
fruity
ethyl methyl-para-tolyl glycidate
FL/FR
hexyl phenyl acetate
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
prenyl acetate
FL/FR
rose butanoate
FL/FR
green
cinnamyl alcohol
FL/FR
clary sage absolute
FL/FR
galbanum resinoid
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
iso
jasmone
FL/FR
marigold pot absolute
FL/FR
para-
methyl hydratropaldehyde
FL/FR
methyl octine carbonate
FL/FR
nerolidol
FL/FR
(Z)-beta-
ocimene
FL/FR
octanal dimethyl acetal
FL/FR
papaya isobutyrate
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
3-
phenyl propionaldehyde
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
medicinal
dimethyl benzyl carbinol
FL/FR
powdery
acetophenone
FL/FR
spicy
benzyl cinnamate
FL/FR
cinnamyl acetate
FL/FR
cinnamyl formate
FL/FR
tropical
guava distillates
FL
vanilla
vanillyl acetate
FL/FR
waxy
alpha-
hexyl cinnamaldehyde
FL/FR
mimosa absolute france
FL/FR
woody
alpha-
terpinyl acetate
FL/FR
 
Potential Uses:
 floralFR
 peonyFR
 roseFR
 
Occurrence (nature, food, other): note
 blackberry fruit
Search PMC Picture
 
Synonyms:
 benzenepropanol, a-methyl-
 butan-2-ol, 4-phenyl-
2-butanol, 4-phenyl-
2-hydroxy-4-phenyl butane
2-hydroxy-4-phenylbutane
 methyl 2-phenyl ethyl carbinol
 methyl 2-phenylethyl carbinol
alpha-methyl benzene propanol
 methyl phenethyl carbinol
 methyl phenyl ethyl carbinol
 methyl-2-phenylethylcarbinol
a-methylbenzenepropanol
 methylphenethylcarbinol
 phenethyl methyl carbinol
4-phenyl butan-2-ol
 phenyl ethyl methyl carbinol
1-phenyl-3-butanol
4-phenylbutan-2-ol
 phenylethyl methyl carbinol
 

Articles:

PubMed: Online capillary solid-phase microextraction coupled liquid chromatography-mass spectrometry for analysis of chiral secondary alcohol products in yeast catalyzed stereoselective reduction cell culture.
PubMed: Inhibition effects of benzylideneacetone, benzylacetone, and 4-phenyl-2-butanol on the activity of mushroom tyrosinase.
PubMed: Acetophenone reductase with extreme stability against a high concentration of organic compounds or an elevated temperature.
PubMed: Fragrance material review on 2-methyl-4-phenyl-2-butanol.
PubMed: Use of perfluorinated phosphines to provide thermomorphic anticancer complexes for heat-based tumor targeting.
PubMed: A Thermoanaerobacter ethanolicus secondary alcohol dehydrogenase mutant derivative highly active and stereoselective on phenylacetone and benzylacetone.
PubMed: Nonaqueous and halide-free route to crystalline BaTiO3, SrTiO3, and (Ba,Sr)TiO3 nanoparticles via a mechanism involving C-C bond formation.
PubMed: Aminocyclopentadienyl ruthenium complexes as racemization catalysts for dynamic kinetic resolution of secondary alcohols at ambient temperature.
PubMed: Stable isotope characterization of raspberry ketone extracted from Taxus baccata and obtained by oxidation of the accompanying alcohol (Betuligenol).
PubMed: Biotransformation of terodiline I. Identification of metabolites in dog urine by mass spectrometry.
PubMed: The mode of binding of potential transition-state analogs to acetylcholinesterase.
 
Notes:
Used as a food additive [EAFUS]
 
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