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5140-03-4

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5140-03-4 Structure

5140-03-4 Structure
IdentificationBack Directory
[Name]

1,4-BENZENEDIETHANOL
[CAS]

5140-03-4
[Synonyms]

1,4-BENZENEDIETHANOL
1,4-PHENYLENEDIETHANOL
1,4-BIS(2-HYDROXYETHYL)BENZENE
1,4-Benzenediethanol 1,4-Phenylenediethanol
[Molecular Formula]

C10H14O2
[MDL Number]

MFCD00666548
[MOL File]

5140-03-4.mol
[Molecular Weight]

166.22
Chemical PropertiesBack Directory
[Melting point ]

88 °C
[Boiling point ]

193 °C / 11mmHg
[density ]

1.107±0.06 g/cm3(Predicted)
[form ]

powder to crystal
[pka]

14.58±0.10(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C10H14O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4,11-12H,5-8H2
[InChIKey]

LBZZJNPUANNABV-UHFFFAOYSA-N
[SMILES]

C1(CCO)=CC=C(CCO)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26
[WGK Germany ]

WGK 3
[HS Code ]

2906290090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Spectrum DetailBack Directory
[Spectrum Detail]

1,4-BENZENEDIETHANOL(5140-03-4)MS
1,4-BENZENEDIETHANOL(5140-03-4)1HNMR
1,4-BENZENEDIETHANOL(5140-03-4)13CNMR
1,4-BENZENEDIETHANOL(5140-03-4)IR1
1,4-BENZENEDIETHANOL(5140-03-4)IR2
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