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

dibenzyl
1,1'-(1,2-ethanediyl)bisbenzene

Supplier Sponsors

Name:phenethylbenzene
CAS Number: 103-29-7Picture of molecule3D/inchi
Other(deleted CASRN):39660-70-3
ECHA EINECS - REACH Pre-Reg:203-096-4
FDA UNII: 007C07V77Z
Nikkaji Web:J5.013J
Beilstein Number:0508068
MDL:MFCD00004796
XlogP3:4.80 (est)
Molecular Weight:182.26558000
Formula:C14 H14
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge 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
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 52.50 °C. @ 760.00 mm Hg
Boiling Point: 284.00 °C. @ 760.00 mm Hg
Boiling Point: 136.00 to 137.00 °C. @ 10.00 mm Hg
Vapor Pressure:0.006000 mmHg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 4.790
Soluble in:
 alcohol
 water, 4.3 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
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.
1,2-Diphenylethane
Odor: characteristic
Use: 1,2-Diphenylethane is a kind of widely used aromatic hydrocarbon compound.
Sigma-Aldrich: Aldrich
For experimental / research use only.
Dibenzyl ReagentPlus®, 99%
TCI AMERICA
For experimental / research use only.
Dibenzyl >99.0%(GC)
 
Safety Information:
Preferred SDS: View
 
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 4518 mg/kg
BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
National Technical Information Service. Vol. OTS0570799

intravenous-mouse LD50 78 mg/kg
Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 617, 1969.

intraperitoneal-mouse LD50 2500 mg/kg
Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 617, 1969.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
National Technical Information Service. Vol. OTS0570799

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
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 dibenzyl usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Recommendation for dibenzyl flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):103-29-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7647
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
phenethylbenzene
Chemidplus:0000103297
RTECS:DT4375000 for cas# 103-29-7
 
References:
 phenethylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:103-29-7
Pubchem (cid):7647
Pubchem (sid):134972067
 
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
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C14685
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2902.90.9000
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzene, 1,1'-(1,2-ethanediyl)bis-
 dihydrostilbene
1,2-dihydrostilbene
1,2-diphenyl ethane
S-diphenyl ethane
 diphenylethane
1,2-diphenylethane
1,1'-ethan-1,2-diyldibenzol
1,1'-(1,2-ethane diyl) bisbenzene
1,1'-ethane-1,2-diyldibenzene
 ethane, 1,2-diphenyl-
1,1'-(1,2-ethanediyl)bisbenzene
1,1'-(1,2-ethanediyl)dibenzene
 phenethylbenzene
(2-phenylethyl)benzene
 

Articles:

PubMed:Potent microbial and tyrosinase inhibitors from stem bark of Bauhinia rufescens (Fabaceae).
PubMed:A pair of chiral fluorescent sensors for enantioselective recognition of mandelate in water.
PubMed:Ground state conformational preferences and CH stretch-bend coupling in a model alkoxy chain: 1,2-diphenoxyethane.
PubMed:Towards a first-principles model of Fermi resonance in the alkyl CH stretch region: application to 1,2-diphenylethane and 2,2,2-paracyclophane.
PubMed:Symmetric kv1.5 blockers discovered by focused screening.
PubMed:Verification of stereospecific dyotropic racemisation of enantiopure D and L-1,2-dibromo-1,2-diphenylethane in non-polar media.
PubMed:Design, synthesis and molecular simulation studies of dihydrostilbene derivatives as potent tyrosinase inhibitors.
PubMed:Conformational mobility of small molecules in glass-forming solutions studied by FTIR spectroscopy.
PubMed:Theoretical study on the mechanism of Ni-catalyzed alkyl-alkyl Suzuki cross-coupling.
PubMed:o-Carborane as an electron-transfer mediator in electrocatalytic reduction.
PubMed:A recyclable organocatalyst for asymmetric Michael addition of acetone to nitroolefins.
PubMed:Complete NMR data of methoxylated cis- and trans-stilbenes as well as 1,2-diphenylethanes.
PubMed:Radical reactivity of aza[60]fullerene: preparation of monoadducts and limitations.
PubMed:Lanthanide tri-benzyl complexes: structural variations and useful precursors to phosphorus-stabilised lanthanide carbenes.
PubMed:Steric, geometrical and solvent effects on redox potentials in salen-type copper(II) complexes.
PubMed:Guanidine and 2-aminoimidazoline aromatic derivatives as alpha2-adrenoceptor antagonists. 2. Exploring alkyl linkers for new antidepressants.
PubMed:Enantioselective oxidation of sulfides catalyzed by titanium complexes of 1,2-diarylethane-1,2-diols: effect of the aryl substitution.
PubMed:Supramolecular structures of bis-thionooxalamic acid esters derived from (+/-)-cyclohexane-1,2-diamine and (+/-)-1,2-diphenylethylenediamine.
PubMed:Chiral bridged aminotroponiminate complexes of the lanthanides.
PubMed:A para-hydrogen investigation of palladium-catalyzed alkyne hydrogenation.
PubMed:The vicinal difluoro motif: The synthesis and conformation of erythro- and threo- diastereoisomers of 1,2-difluorodiphenylethanes, 2,3-difluorosuccinic acids and their derivatives.
PubMed:Band shape determination with robust estimator based on continuous wavelet transform.
PubMed:Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.
PubMed:Carbon-halogen bond activation mechanism by copper(I) complexes of (2-pyridyl)alkylamine ligands.
PubMed:Diisothiocyanate derivatives as potent, insurmountable antagonists of P2Y6 nucleotide receptors.
PubMed:Some 1,2-diphenylethane derivatives as inhibitors of retinoic acid--metabolising enzymes.
PubMed:A novel DI*A allele without the Band 3-Memphis mutation in Amazonian Indians.
PubMed:Modeling the chromatographic enantioseparation of aryl- and hetarylcarbinols on ULMO, a brush-type chiral stationary phase, by 3D-QSAR techniques.
PubMed:Synthesis of a new water-soluble C(2)-symmetric chiral diamine: preliminary investigation of its catalytic properties for asymmetric hydrogenation under biphasic conditions.
PubMed:[(Indenyl)Ru(biphop-F)](+): A Lewis Acid Catalyst That Controls both the Diene and the Dienophile Facial Selectivity in Diels-Alder Reactions This work was supported by the Swiss National Science Foundation (FNS grant 20-59374.99) and The Ministère des Affaires Etrangères from France (Lavoisier grant to V.A.). biphop-F=1,2-bis[bis(pentafluorophenyl)phosphanyloxy]-1,2-diphenylethane.
PubMed:An approach to a chiral cycloalkanone-mediated asymmetric epoxidation of stilbene with oxone.
PubMed:Immobilization of difunctional building blocks on hydroxysuccinimide activated silica: versatile in situ preparation of chiral stationary phases.
PubMed:meso-1,2-bis(methylazo)-1,2-diphenylethane.
PubMed:Induction of Cholesteric Mesophases by Simple Cyclic Derivatives of p,p'-Disubstituted 1,2-Diphenylethane-1,2-diols: Importance of Shape and Polarizability Effects.
PubMed:Alkyl bromides as mechanistic probes of reductive dehalogenation: reactions of vicinal dibromide stereoisomers with zerovalent metals.
PubMed:Investigations of new lead structures for the design of selective estrogen receptor modulators.
PubMed:Synthesis and stereochemical characterization of optically active 1,2-diarylethane-1,2-diols: useful chiral controllers in the Ti-mediated enantioselective sulfoxidation.
PubMed:Evidence for a dinuclear mechanism in alkyne hydrogenations catalyzed by pyrazolate-bridged diiridium complexes
PubMed:Analysis of leucine enkephalin by high-performance liquid chromatography using enzymatic derivatization by tyrosinase and electrochemical or fluorescence detection.
PubMed:Modulation of clinical expression and band 3 deficiency in hereditary spherocytosis.
PubMed:1,3-Diphenylpropane-1,3-diamines, VI): DNA-interaction, estrogen receptor affinity, and cytostatic activity of 1,3-diphenylpropane-1,3-diamine-Pt(II) complexes.
PubMed:Oligomeric forms of skate erythrocyte band 3. Effect of volume expansion.
PubMed:Two different mRNAs from rat liver code for the transport of bumetanide and taurocholate in Xenopus laevis oocytes.
PubMed:Band 3 HT, a human red-cell variant associated with acanthocytosis and increased anion transport, carries the mutation Pro-868-->Leu in the membrane domain of band 3.
PubMed:A red cell band 3 variant with altered stilbene disulphonate binding is associated with the Diego (Dia) blood group antigen.
PubMed:A new fluorogenic assay for tyrosine-containing peptides.
PubMed:Aqua[1-(2,6-dichloro-4-hydroxyphenyl)-2- phenylethylenediamine](sulfato)platinum-(II) complexes with variable substituents in the 2-phenyl ring. 1. Synthesis and antitumor and estrogenic properties.
PubMed:Synthesis and anticonvulsant evaluation of 1,2-diphenylethane derivatives, potential metabolites of denzimol.
PubMed:Low-density lipoprotein endocytosis. I. Influence of the multivalent ligand cationized ferritin on normal and receptor-negative human fibroblasts.
PubMed:Evidence for glycoprotein components of the hepatocellular bile acid transporter.
PubMed:Iodipamide uptake by rat liver plasma membrane vesicles enriched in the sinusoidal fraction: evidence for a carrier-mediated transport dependent on membrane potential.
PubMed:Catabolism of the anion transport protein in human erythrocytes.
PubMed:A new variant of the anion transport protein in human erythrocytes.
PubMed:Anti-proliferative effects of 1,2-diphenylethane oestrogens and anti-oestrogens on human breast cancer cells.
PubMed:Effects of the transport site conformation on the binding of external NAP-taurine to the human erythrocyte anion exchange system. Evidence for intrinsic asymmetry.
PubMed:Further characterization of membrane proteins involved in the transport of organic anions in hepatocytes. Comparison of two different affinity labels: 4,4'-diisothiocyano-1,2-diphenylethane-2,2'-disulfonic acid and brominated taurodehydrocholic acid.
PubMed:9,10-Dihydrophenanthrenes as phytoalexins of Orchidaceae. Biosynthetic studies in vitro and in vivo proving the route from L-phenylalanine to dihydro-m-coumaric acid, dihydrostilbene and dihydrophenanthrenes.
PubMed:Inhibition of anion permeability of sarcoplasmic reticulum vesicles by stilbene derivatives and the identification of an inhibitor-binding protein.
PubMed:Inhibition of Ehrlich ascites cell anion transport by 1-isothiocyanate-4-benzenesulfonic acid.
PubMed:Adherence of bacteria to mammalian cells: inhibition by tunicamycin and streptovirudin.
PubMed:Ehrlich ascites tumor cell surface labeling and kinetics of glycocalyx release.
PubMed:Chloride and sulfate transport in Ehrlich ascites tumor cells: evidence for a common mechanism.
PubMed:[Derivatives of 1-amino-1,2-diphenylethane].
PubMed:[Retinal arteriolar spasmolysis; clinico-experimental study with nicotylamino-1, 2-diphenylethane (lyspamin)].
 
Notes:
intermdiate in biosynthesis of dihydrophenanthrenes from phenylalanine.
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