ChemicalBook--->CAS DataBase List--->1077-16-3

1077-16-3

1077-16-3 Structure

1077-16-3 Structure
IdentificationMore
[Name]

1-PHENYLHEXANE
[CAS]

1077-16-3
[Synonyms]

1-PHENYLHEXANE
HEXYLBENZENE
N-HEXYLBENZENE
PHENYLHEXANE
Benzene, hexyl-
Hexane, 1-phenyl-
hexane,1-phenyl-
hexyl-benzen
n-hexylbenzen
HEXYLBENZENE, STANDARD FOR GC
Hexylbenzene,>96%
4-Hexylbenzene
[EINECS(EC#)]

214-070-7
[Molecular Formula]

C12H18
[MDL Number]

MFCD00009526
[Molecular Weight]

162.27
[MOL File]

1077-16-3.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

-61 °C (lit.)
[Boiling point ]

226 °C (lit.)
[density ]

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

n20/D 1.486(lit.)
[Fp ]

182 °F
[storage temp. ]

Store below +30°C.
[form ]

neat
[color ]

Colorless to Almost colorless
[Specific Gravity]

0.861
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents.
[Water Solubility ]

1.017mg/L(25 ºC)
[Thermal Conductivity]

0.129 W/(m·K) at 25 ℃
[BRN ]

1904786
[Major Application]

environmental
[InChI]

1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3
[InChIKey]

LTEQMZWBSYACLV-UHFFFAOYSA-N
[SMILES]

CCCCCCc1ccccc1
[CAS DataBase Reference]

1077-16-3(CAS DataBase Reference)
[NIST Chemistry Reference]

n-Hexylbenzene(1077-16-3)
[EPA Substance Registry System]

1077-16-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,N
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S60:This material and/or its container must be disposed of as hazardous waste .
[RIDADR ]

UN 3082 9/PG 3
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29029000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Pyrazolate-->BINAPACRYL-->1-(4-Bromophenyl)hexane-->Hexylcyclohexane-->2-Chloro-1-(4-hexyl-phenyl)-ethanone
Hazard InformationBack Directory
[Chemical Properties]

colourless liquid
[Uses]

Hexylbenzene is a product formed during deep-fat frying of oils.
[Definition]

ChEBI: Hexylbenzene is a member of benzenes.
Spectrum DetailBack Directory
[Spectrum Detail]

1-PHENYLHEXANE(1077-16-3)MS
1-PHENYLHEXANE(1077-16-3)1HNMR
1-PHENYLHEXANE(1077-16-3)13CNMR
1-PHENYLHEXANE(1077-16-3)IR1
1-PHENYLHEXANE(1077-16-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Phenylhexane, 97%(1077-16-3)
[Alfa Aesar]

n-Hexylbenzene, 98%(1077-16-3)
[Sigma Aldrich]

1077-16-3(sigmaaldrich)
[TCI AMERICA]

Hexylbenzene,>98.0%(GC)(1077-16-3)
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