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4-phenyl-2-butanol

General Material Information

Preferred name	4-phenyl-2-butanol
Trivial Name	4-Phenyl-2-butanol
Short Description	4-phenylbutan-2-ol
Formula	C10 H14 O
CAS Number	2344-70-9
FEMA Number	2879
Flavis Number	2.036
ECHA Number	219-055-9
FDA UNII	SZ2IE5UDQR
Nikkaji Number	J1.806F
MDL	MFCD00044349
COE Number	85
xLogP3-AA	2.30 (est)
Bio Activity Summary	External link
NMR Predictor	External link
JECFA Food Flavoring	815 4-phenyl-2-butanol
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	2344-70-9 ; 4-PHENYL-2-BUTANOL
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 4-phenylbutan-2-ol Benzenepropanol, α-methyl- 2-Butanol, 4-phenyl- α-Methylbenzenepropanol 1-Phenyl-3-butanol 1-Methyl-3-phenyl-1-propanol 2-Hydroxy-4-phenylbutane (±)-4-Phenylbutan-2-ol NSC 69076 (±)-3-Phenyl-1-methylpropanol (3-Hydroxybutyl)benzene

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Literature & 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

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

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
FDA Substances Added to Food (formerly 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

Suppliers

Alfrebro	BOC Sciences
EMD Millipore	Ernesto Ventós
Penta International	Reincke & Fichtner
Santa Cruz Biotechnology	Sigma-Aldrich: Aldrich
Synerzine	TCI AMERICA
Alfrebro LLC/ Archer Daniels Midland Company	Penta International Corporation
Synerzine, Inc.	Ernesto Ventós S.A.

PhysChem Properties

Material listed in food chemical codex	No
Molecular weight	150.22077941895
Specific gravity	@ 25 °C
Pounds per Gallon	8.13 to 8.18
Refractive Index	1.514 to 1.518 @ 20 °C
Boiling Point	123 to 124°C @ 15 mm Hg
Boiling Point	239 to 240°C @ 760 mm Hg
Vapor Pressure	0.015 mmHg @ 25 °C
Flash Point TCC Value	110.56 °C TCC
logP (o/w)	2.131 est
Solubility
alcohol	Yes
water, 1885 mg/L @ 25 °C (est)	Yes
water	No

Organoleptic Properties

Odor Type: Floral
floral, peony, foliage, sweet, mimosa, heliotrope
Odor strength	medium
Substantivity	44 hour(s) at 100.00 %
Luebke, William tgsc, (2007)	At 100.00 %. floral peony foliage sweet mimosa heliotrope
Flavor Type: Floral
floral, spicy, magnolia, mango, green, petal, tropical, melon
Luebke, William tgsc, (2007)	Floral spicy magnolia mango green petal tropical melon

Occurrences

Potential Uses

Applications	flavor and fragrance agents
Odor purposes	Floral, Peony, Rose

Safety Information

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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)
Threshold of Concern:		1800 (μg/person/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 ppm	average maximum ppm
baked goods:		1.50000	15.00000
beverages(nonalcoholic):		0.12000	0.90000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		0.60000	6.00000
fruit ices:		0.60000	6.00000
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		1.50000	15.00000
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

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

Scientific Opinion on Flavouring Group Evaluation 69, Revision 1 (FGE.69Rev1): 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.16Rev2
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

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