Butylbenzene

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H14
Molecular Weight	134.2182
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCC1=CC=CC=C1

InChI

InChIKey=OCKPCBLVNKHBMX-UHFFFAOYSA-N

InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3

HIDE SMILES / InChI

Molecular Formula	C10H14
Molecular Weight	134.2182
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Polydimethylsiloxane-based permeation passive air sampler. Part II: Effect of temperature and humidity on the calibration constants.	2010-12-10	21067763
Structure-activity relationships on the odor detectability of homologous carboxylic acids by humans.	2010-11	20931179
Pi-selective stationary phases: (I) Influence of the spacer chain length of phenyl type phases on the aromatic and methylene selectivity of aromatic compounds in reversed phase high performance liquid chromatography.	2010-08-13	20615511
Monte Carlo/RRKM/classical trajectories modeling of collisional excitation and dissociation of n-butylbenzene ion in multipole collision cells of tandem mass spectrometers.	2010-06-10	20481494
Design, Synthesis, and Biological Evaluation of 3-Benzazepin-1-ols as NR2B-Selective NMDA Receptor Antagonists.	2010-05-03	20340125
Adverse drug effects in hospitalized elderly: data from the healthcare cost and utilization project.	2010	22291486
Phenyl-type and C1 stationary phases for environmentally friendlier chromatography.	2009-11	19882627
Dimethyl (2-hydr-oxy-4-phenyl-but-3-en-2-yl)phospho-nate.	2009-10-31	21578500
Comparison of two vectors for functional expression of a bacterial cytochrome P450 gene in Escherichia coli using CYP153 genes.	2009-08	19661686
Olfactory detectability of homologous n-alkylbenzenes as reflected by concentration-detection functions in humans.	2009-06-16	19303922
4-{[(E)-(4-Chloro-phen-yl)methyl-idene]amino}-3-{2-[4-(2-methyl-prop-yl)phen-yl]eth-yl}-1H-1,2,4-triazole-5(4H)-thione.	2009-05-14	21583109
Different alkyl dimethacrylate mediated stearyl methacrylate monoliths for improving separation efficiency of typical alkylbenzenes and proteins.	2009-04-10	19215928
Solubilization of n-alkylbenzenes into decanoyl-N-methylglucamide (Mega-10) solution; temperature dependence.	2009-02-15	19150232
Temperature dependence of conformation and self-assembly of Pt-TBPP on Ag(110).	2008-10-28	19045295
Hand-portable gas chromatograph-toroidal ion trap mass spectrometer (GC-TMS) for detection of hazardous compounds.	2008-10	18672381
4-[(E)-2,6-Dichloro-benzyl-ideneamino]-3-{1-[4-(2-methyl-prop-yl)phen-yl]eth-yl}-1H-1,2,4-triazole-5(4H)-thione.	2008-07-16	21203213
Effect of noncovalent interactions on conformers of the n-butylbenzene monomer studied by mass analyzed threshold ionization spectroscopy and basis-set convergent ab initio computations.	2008-07-03	18533642
Effect of noncovalent interactions on the n-butylbenzene...Ar cluster studied by mass analyzed threshold ionization spectroscopy and ab initio computations.	2008-07-03	18533640
Solubilization of n-alkylbenzenes into decanoyl-N-methylglucamide (Mega-10) solution.	2008-01-01	18052401
Origin of 13C complexation shifts in the adduct formation of 2-butyl phenyl ethers with a dirhodium tetracarboxylate complex.	2008-01	18098227
Glucosinolates in Diplotaxis and Eruca leaves: diversity, taxonomic relations and applied aspects.	2008-01	17669448
Dynamic collision-induced dissociation (DCID) in a quadrupole ion trap using a two-frequency excitation waveform: II. Effects of frequency spacing and scan rate.	2007-11	17904860
Solubilization of n-alkylbenzenes into octaethylene glycol mono-n-tetradecyl ether (C14E8) micelles.	2007-07-03	17547433
Dynamic collision-induced dissociation (DCID) in a quadrupole ion trap using a two-frequency excitation waveform: I. Effects of excitation frequency and phase angle.	2007-04	17275322
Ionization of aromatic sulfides in nonpolar media: free vs reaction-controlled electron transfer.	2007-01-11	17201390
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006-11	16497524
Ion trajectory simulation for electrode configurations with arbitrary geometries.	2006-09	16793279
Two-channel dissociation of chemically and thermally activated n-butylbenzene cations (C10H14+).	2006-07-13	16821830
Miniature toroidal radio frequency ion trap mass analyzer.	2006-07	16697659
Uptake of benzene and alkylbenzenes by cation- and anion-exchange resins from aqueous solutions.	2006-06	16772693
QSARs for aromatic hydrocarbons at several trophic levels.	2006-04	16528686
Micelle-to-vesicle transition induced by organic additives in catanionic surfactant systems.	2006-03-20	16416498
New lipophilic 3-hydroxy-4-pyridinonate iron(III) complexes: synthesis and EXAFS structural characterisation.	2006-03-14	16505910
Regular use of a hand cream can attenuate skin dryness and roughness caused by frequent hand washing.	2006-02-13	16476166
On the model dependence of kinetic shifts in unimolecular reactions: the dissociation of the cations of benzene and n-butylbenzene.	2006-02-02	16435809
A two-generation reproductive toxicity study of n-butylbenzene in rats.	2005-12	16641541
Two-generation reproductive toxicity studies in rats with extra parameters for detecting endocrine disrupting activity: introductory overview of results for nine chemicals.	2005-12	16641537
Isolation and functional analysis of cytochrome P450 CYP153A genes from various environments.	2005-12	16377903
Reduction of detection limits of the direct deposition GC/FT-IR interface by surface-enhanced infrared absorption.	2005-09-15	16159129
Crystal structures of n-alkanes with branches of different size in the middle.	2005-06-02	16852295
Organic solvent-induced cell death in rat cerebellar granule cells: structure dependence of c10 hydrocarbons and relationship to reactive oxygen species formation.	2005-06	15935204
Relative ototoxicity of 21 aromatic solvents.	2005-06	15660228
Uptake of organic gas phase species by 1-methylnaphthalene.	2005-05-05	16833713
[Preparation and evaluation of monolithic silica columns for capillary electrochromatography].	2005-05	16124564
Ortho effects in quantitative structure-activity relationships for acetylcholinesterase inhibition by aryl carbamates.	2004-10	15648653
Quantitative structure-activity relationship for aromatic hydrocarbons on freshwater fish.	2004-10	15327885
Open-tubular electrochromatographic characterization of synthetic peptides.	2004-05	15174040
Asymmetric synthesis of N-protected amino acids by the addition of organolithium carboxyl synthons to ROPHy/SOPHy-derived aldoximes and ketoximes.	2004-01-21	14737651
Solid phase microextraction: measurement of volatile organic compounds (VOCs) in Dhaka City air pollution.	2002-08	15328688
Conversion of various aromatic compounds by resting cells of Fusarium moniliforme strain MS31.	2001	16233114

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:04:01 GMT 2025` Edited by `admin` on `Mon Mar 31 19:04:01 GMT 2025`
Record UNII	S8XZ2901RZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Butylbenzene

Systematic Name

English

N-BUTYLBENZENE

Preferred Name

English

BENZENE, BUTYL-

Systematic Name

English

N-BUTYLBENZENE [MI]

Common Name

English

N-BUTYLBENZENE [HSDB]

Common Name

English

NSC-8465

Code

English

1-PHENYLBUTANE

Systematic Name

English

Code System Code Type Description

MESH

C053761