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ChemicalBook--->CAS DataBase List--->629-41-4

629-41-4

629-41-4 Structure

629-41-4 Structure
IdentificationMore
[Name]

Octane-1,8-diol
[CAS]

629-41-4
[Synonyms]

1,8-DIHYDROXYOCTANE
1,8-OCT AND IOL
1,8-OCTANEDIOL
OCTAMETHYLENE GLYCOL
octane-1,8-diol
OCTANEDIOL(1,8-)
OCTYLENE GLYCOL
ODOL
1,8-0ctanediol
Octan-1,8-diol
octane,1,8-dihydroxy-
1,8-Dihydroxyoctane~Octamethylene glycol
Octanediol
1,8-Octanediol, 96+%
1,8-Octanediol,98+%
2-Ethyl-1,3-Hexanediolep
1,8-OCTANEDIOL 98%
[EINECS(EC#)]

211-090-8
[Molecular Formula]

C8H18O2
[MDL Number]

MFCD00002989
[Molecular Weight]

146.23
[MOL File]

629-41-4.mol
Chemical PropertiesBack Directory
[Appearance]

colorless to white crystals or flakes
[Melting point ]

57-61 °C (lit.)
[Boiling point ]

172 °C/20 mmHg (lit.)
[density ]

1,053g/cm
[refractive index ]

1,438-1,44
[Fp ]

148°C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Powder or Crystalline
[pka]

14.89±0.10(Predicted)
[color ]

Off-white to pale yellow
[Water Solubility ]

Soluble in water and methanol.
[BRN ]

1633499
[InChI]

InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
[InChIKey]

OEIJHBUUFURJLI-UHFFFAOYSA-N
[SMILES]

C(O)CCCCCCCO
[LogP]

0.970 (est)
[CAS DataBase Reference]

629-41-4(CAS DataBase Reference)
[NIST Chemistry Reference]

1,8-Octanediol(629-41-4)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

29053980
Raw materials And Preparation ProductsBack Directory
[Raw materials]

DIETHYL SUBERATE
[Preparation Products]

8-Bromooctanoic acid-->8-Bromo-1-octanol-->oxonan-2-one-->octanedial-->Z,E-9,11-TETRADECADIENYL ACETATE-->1,8-Dichlorooctane-->11-methyldodecanol-->1,8-Difluorooctane
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Octane-1,8-diol(629-41-4).msds
Hazard InformationBack Directory
[Chemical Properties]

colorless to white crystals or flakes. soluble in ethanol, insoluble in water, ether, light gasoline.
[Application]

1,8-Octanediol is used in cosmetics, perfumes, ink, essence and in UV coating. It acts as a precursor in the synthesis of polymer and in the manufacture of pharmaceuticals. 1,8-Octanediol can undergo:
Polycondensation with citric acid to form biodegradable poly(1,8-octanediol citrate)(POC) crosslinked bioelastomer which can be blended with various additives.
Fischer esterification with dicarboxylic acids to form diol-based macromers.
[Uses]

As a monomer, 1,8-Octanediol is used in the synthesis of polymers polyesters and polyurethane.
[Definition]

ChEBI: Octane-1,8-diol is an octanediol.
[Preparation]

1,8-Octanediol is synthesized by hydrogenation reduction under high temperature and high pressure using diethyl suberate as raw material and copper-chromium oxide as catalyst.
[Purification Methods]

Recrystallise the diol from EtOH and distil it in a vacuum. [Beilstein 1 IV 2592.]
Spectrum DetailBack Directory
[Spectrum Detail]

1,8-Octanediol(629-41-4)MS
1,8-Octanediol(629-41-4)1HNMR
1,8-Octanediol(629-41-4)13CNMR
1,8-Octanediol(629-41-4)IR1
1,8-Octanediol(629-41-4)IR2
1,8-Octanediol(629-41-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1,8-Octanediol, 98+%(629-41-4)
[Sigma Aldrich]

629-41-4(sigmaaldrich)
[TCI AMERICA]

1,8-Octanediol,>99.0%(GC)(629-41-4)
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