ChemicalBook--->CAS DataBase List--->538-68-1

538-68-1

538-68-1 Structure

538-68-1 Structure
IdentificationMore
[Name]

Phenylpentane
[CAS]

538-68-1
[Synonyms]

1-PENTYLBENZENE
1-PHENYLPENTAN
1-PHENYLPENTANE
AMYLBENZENE
LABOTEST-BB LT00159054
N-AMYLBENZENE
N-PENTYLBENZENE
PENTYLBENZENE
Phenylpentane
S-AMYL BENZENE
1-Phenyl-n-pentane
benzene,pentyl-
Pentane, 1-phenyl-
pentyl-benzen
PENTYLBENZENE, SUBSTANCE FOR GC
N-PENTYLBENZENE 98%
[EINECS(EC#)]

208-701-5
[Molecular Formula]

C11H16
[MDL Number]

MFCD00009502
[Molecular Weight]

148.24
[MOL File]

538-68-1.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless liquid
[Melting point ]

-75 °C (lit.)
[Boiling point ]

205 °C (lit.)
[density ]

0.863 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.488(lit.)
[Fp ]

150 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

H2O: insoluble
[form ]

neat
[color ]

Colorless to Almost colorless
[Specific Gravity]

0.863
[explosive limit]

0.7%(V)
[Water Solubility ]

Insoluble
[Thermal Conductivity]

0.13 W/(m·K) at 25 ℃
[Usage]

Intermediates of Liquid Crystals
[Merck ]

14,600
[BRN ]

1904359
[Major Application]

environmental
petroleum
[InChI]

1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
[InChIKey]

PWATWSYOIIXYMA-UHFFFAOYSA-N
[SMILES]

CCCCCc1ccccc1
[LogP]

4.900
[CAS DataBase Reference]

538-68-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, pentyl-(538-68-1)
[EPA Substance Registry System]

538-68-1(EPA Substance)
Questions And AnswerBack Directory
[Description]

Amylbenzene is a colorless liquid with a slight odor. It is miscible with ether, acetone and benzene, insoluble in water and soluble in ethanol. It can be used as a chromatographic analysis reagent.
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Danger
[Hazard statements ]

H411
[Precautionary statements ]

P273
[Hazard Codes ]

N
[Risk Statements ]

R10:Flammable.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 3082 9/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29029080
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Chronic 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzylmagnesium chloride-->(1-Ethylpropyl)benzene-->Phenyl trifluoromethanesulfonate-->2-Phenylpentane-->3-Bromopentane-->Benzene-->1-Bromopentane
[Preparation Products]

2-(4-Pentylbenzoyl)-1-benzofuran-5-carbaldehyde-->2-Amylanthraquinone-->n-Propylbenzene-->1-(4-Pentylphenyl)propan-1-one
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Pentylbenzene(538-68-1).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colourless liquid
[Uses]

Pentylbenzene can be eluted using the bisphenol A dimethacrylate (BADMA) monolithic column.
[Uses]

Intermediates of Liquid Crystals
[Definition]

ChEBI: Pentylbenzene is a member of benzenes.
[Synthesis Reference(s)]

Organic Syntheses, Coll. Vol. 2, p. 47, 1943
Tetrahedron Letters, 30, p. 4741, 1989 DOI: 10.1016/S0040-4039(01)80790-5
[Hazard]

Irritant to skin and eyes, narcotic in high concentrations. Moderate fire risk.
Spectrum DetailBack Directory
[Spectrum Detail]

Phenylpentane(538-68-1)MS
Phenylpentane(538-68-1)1HNMR
Phenylpentane(538-68-1)13CNMR
Phenylpentane(538-68-1)IR1
Phenylpentane(538-68-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

n-Pentylbenzene, 96%(538-68-1)
[Sigma Aldrich]

538-68-1(sigmaaldrich)
[TCI AMERICA]

Amylbenzene,>98.0%(GC)(538-68-1)
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