ChemicalBook--->CAS DataBase List--->593-49-7

593-49-7

593-49-7 Structure

593-49-7 Structure
IdentificationMore
[Name]

N-HEPTACOSANE
[CAS]

593-49-7
[Synonyms]

ALKANE C27
HEPTACOSANE
N-HEPTACOSANE
HEPTACOSANE, STANDARD FOR GC
N-HEPTACOSANE 95+%
HEPTACOSANE 98+%
n-Heptacosan
[EINECS(EC#)]

209-792-4
[Molecular Formula]

C27H56
[MDL Number]

MFCD00009862
[Molecular Weight]

380.73
[MOL File]

593-49-7.mol
Chemical PropertiesBack Directory
[Appearance]

Crystals.Soluble in alcohol; insoluble in water.
[Melting point ]

58-60 °C(lit.)
[Boiling point ]

270 °C15 mm Hg(lit.)
[density ]

0.7796
[refractive index ]

1.4345
[Fp ]

270°C/15mm
[storage temp. ]

Store at room temperature
[Water Solubility ]

Insoluble in water
[form ]

neat
[color ]

White to Almost white
[BRN ]

1706242
[InChI]

1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
[InChIKey]

BJQWYEJQWHSSCJ-UHFFFAOYSA-N
[SMILES]

CCCCCCCCCCCCCCCCCCCCCCCCCCC
[LogP]

14.463 (est)
[CAS DataBase Reference]

593-49-7(CAS DataBase Reference)
[EPA Substance Registry System]

Heptacosane (593-49-7)
Questions And AnswerBack Directory
[Preparation]

Weigh 11.4 g of 10,18-heptadecanedione, 25 mL of hydrazine monohydrate, 25 mL of glacial acetic acid, and 305 mL of 1-octanol, and reflux at 140-150 °C for 9 hours with stirring. Remove the water and excess hydrazine formed using a Dean-Stark apparatus. Add a sodium octanoate solution (11 g sodium dissolved in 120 mL of 1-octanol) to the hydrazone. Then reflux the mixture for 24 hours. Raise the oil bath temperature to 180 °C. Neutralize the cold mixture with 4 M HCl. Evaporate the organic phase to dryness under vacuum (~133 Pa). The remaining semi-solid was crystallized from ethanol to give an impure white solid, which was finally purified by silica gel column chromatography (eluent toluene) to give N-HEPTACOSANE in 29% yield, with a melting point of 59 °C.
Safety DataBack Directory
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

209-792-4
[HS Code ]

29011000
[Storage Class]

11 - Combustible Solids
[Hazardous Substances Data]

593-49-7(Hazardous Substances Data)
Hazard InformationBack Directory
[Hazard]

Combustible.
[Chemical Properties]

Crystals.Soluble in alcohol; insoluble in water.
[Uses]

Refer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
[Definition]

ChEBI: A straight-chain alkane with 27 carbon atoms.
Spectrum DetailBack Directory
[Spectrum Detail]

N-HEPTACOSANE(593-49-7)MS
N-HEPTACOSANE(593-49-7)1HNMR
N-HEPTACOSANE(593-49-7)13CNMR
N-HEPTACOSANE(593-49-7)IR1
N-HEPTACOSANE(593-49-7)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

n-Heptacosane, 97%(593-49-7)
[Sigma Aldrich]

593-49-7(sigmaaldrich)
[TCI AMERICA]

Heptacosane,>95.0%(GC)(593-49-7)
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