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

phenyl butyrate
phenyl butanoate

Supplier Sponsors

CAS Number: 4346-18-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:224-405-9
FDA UNII: R9K49A127H
Nikkaji Web:J121.748H
XlogP3:2.70 (est)
Molecular Weight:164.20404000
Formula:C10 H12 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring 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:2019 phenyl butyrate
FEMA Number:4621 phenyl butyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):4346-18-3 ; PHENYL BUTYRATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.03700 to 1.03900 @ 20.00 °C.
Pounds per Gallon - (est).: 8.639 to 8.656
Boiling Point: 225.00 to 226.00 °C. @ 760.00 mm Hg
Boiling Point: 85.00 °C. @ 8.00 mm Hg
Vapor Pressure:0.065000 mmHg @ 25.00 °C. (est)
Flash Point: 194.00 °F. TCC ( 90.00 °C. )
logP (o/w): 2.672 (est)
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 ether
 water, 416.4 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:sweet floral
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Phenylbutyrate
 
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:
flavoring agents
Recommendation for phenyl butyrate usage levels up to:
 not for fragrance use.
 
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: 24
Click here to view publication 24
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.100001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 0.200002.00000
gelatins / puddings: 0.200002.00000
granulated sugar: --
gravies: --
hard candy: --
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:
EPI System: View
ClinicalTrials.gov:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :20354
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
phenyl butanoate
Chemidplus:0004346183
 
References:
 phenyl butanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):20354
Pubchem (sid):134985389
Pherobase:View
 
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):HMDB41612
FooDB:FDB021767
ChemSpider:View
Wikipedia:View
FAO:Phenyl butyrate
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 butanoic acid phenyl ester
 butanoic acid, phenyl ester
 butanoic acid, phenylester
 butyrate phenyl
 butyric acid phenyl ester
 butyric acid, phenyl ester
 fragerol
 phenyl butanoate
 

Articles:

PubMed:Molecular diagnosis of urea cycle disorders: current global scenario.
PubMed:Epigenetic changes during hematopoietic cell granulocytic differentiation--comparative analysis of primary CD34+ cells, KG1 myeloid cells and mature neutrophils.
PubMed:GHB receptor targets in the CNS: focus on high-affinity binding sites.
PubMed:Functional analysis and in vitro correction of splicing FAH mutations causing tyrosinemia type I.
PubMed:Transcriptional regulation of the ABCC6 gene and the background of impaired function of missense disease-causing mutations.
PubMed:Susceptibility of hepatoma-derived cells to histone deacetylase inhibitors is associated with ID2 expression.
PubMed:In vitro epigenetic reprogramming of human cardiac mesenchymal stromal cells into functionally competent cardiovascular precursors.
PubMed:Nickel-Catalyzed Cross-Coupling of Aryl Halides with Alkyl Halides: Ethyl 4-(4-(4-methylphenylsulfonamido)-phenyl)butanoate.
PubMed:DNA methyltransferase inhibitor RG108 and histone deacetylase inhibitors cooperate to enhance NB4 cell differentiation and E-cadherin re-expression by chromatin remodelling.
PubMed:Antileukemic activity of combined epigenetic agents, DNMT inhibitors zebularine and RG108 with HDAC inhibitors, against promyelocytic leukemia HL-60 cells.
PubMed:Effects of cellular, chemical, and pharmacological chaperones on the rescue of a trafficking-defective mutant of the ATP-binding cassette transporter proteins ABCB1/ABCB4.
PubMed:Epigenetic changes by zebularine leading to enhanced differentiation of human promyelocytic leukemia NB4 and KG1 cells.
PubMed:C/EBPα and PU.1 are involved in distinct differentiation responses of acute promyelocytic leukemia HL-60 and NB4 cells via chromatin remodeling.
PubMed:Novel radioiodinated {gamma}-hydroxybutyric acid analogues for radiolabeling and Photolinking of high-affinity {gamma}-hydroxybutyric acid binding sites.
PubMed:IL-1beta induces ER stress in a JNK dependent manner that determines cell death in human pancreatic epithelial MIA PaCa-2 cells.
PubMed:Response of retinoic acid-resistant KG1 cells to combination of retinoic acid with diverse histone deacetylase inhibitors.
PubMed:[Ornithine transcarbamylase deficiency in adolescence and adulthood: first manifestation with life-threatening decompensation].
PubMed:Lipid-induced ER stress: synergistic effects of sterols and saturated fatty acids.
PubMed:Light induced functionalization of PCL-PEG block copolymers for the covalent immobilization of biomolecules.
PubMed:Detection of metabolite changes in C6 glioma cells cultured with antimitotic oleyl glycoside by 1H MAS NMR.
PubMed:Surface functionalization of a poly(butylene terephthalate) (PBT) melt-blown filtration membrane by wet chemistry and photo-grafting.
PubMed:Clonogenic acute myelogenous leukemia cells are heterogeneous with regard to regulation of differentiation and effect of epigenetic pharmacological targeting.
PubMed:Sodium phenyl butyrate downregulates endothelin-1 expression in cultured human endothelial cells: relevance to sickle-cell disease.
PubMed:Effects of histone deacetylase inhibitors, sodium phenyl butyrate and vitamin B3, in combination with retinoic acid on granulocytic differentiation of human promyelocytic leukemia HL-60 cells.
PubMed:[Phenol butyrate inhibits cell cycle of leukemia cell lines through up-regulation of p21WAF1/CIP1 gene].
PubMed:Single and combination drug therapy for fetal hemoglobin augmentation in hemoglobin E-beta 0-thalassemia: Considerations for treatment.
PubMed:Fetal haemoglobin augmentation in E/beta(0) thalassaemia: clinical and haematological outcome.
PubMed:A practical molecular clip for immobilization of receptors and biomolecules on devices' surface: synthesis, grafting protocol and analytical assay.
PubMed:Use of a novel histone deacetylase inhibitor to induce apoptosis in cell lines of acute lymphoblastic leukemia.
PubMed:Pharmacological approaches to correcting the ion transport defect in cystic fibrosis.
PubMed:[cDNA array in the establishment of a gene expression profile associated with differentiation inducing the glioma cells].
PubMed:Fc-receptor-mediated targeting of antibody-bearing liposomes containing dideoxycytidine triphosphate to human monocyte/macrophages.
PubMed:In vitro and in vivo activity of 1-aryl-3-(2-chloroethyl) urea derivatives as new antineoplastic agents.
PubMed:Haloketone transition state analog inhibitors of cholesterol esterase.
PubMed:1-Aryl-3-(2-chloroethyl) ureas: synthesis and in vitro assay as potential anticancer agents.
PubMed:Further studies on the antineoplastic activity of homo-aza-steroidal esters.
PubMed:Identity of purified monoacylglycerol lipase, palmitoyl-CoA hydrolase and aspirin-metabolizing carboxylesterase from rat liver microsomal fractions. A comparative study with enzymes purified in different laboratories.
PubMed:New compounds: antitumor activity of 3beta-hydroxy-13alpha-amino-13,17-seco-5alpha-androstan-17-oic-13,17-lactam 4-[p-[bis(2-chloroethyl)amino]phenyl]butyrate.
PubMed:Carboxylesterases (EC 3.1.1). A comparison of some kinetic properties of horse, sheep, chicken, pig, and ox liver carboxylesterases.
PubMed:Sterility in the Mexican Fruit Fly Caused by Chemicals.
PubMed:Palmitate induces endoplasmic reticulum stress and autophagy in mature adipocytes: Implications for apoptosis and inflammation.
PubMed:ER stress induced by the OCH1 mutation triggers changes in lipid homeostasis in Kluyveromyces lactis.
 
Notes:
Flavouring ingredient [CCD]
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