UCSF

ZINC01577245

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 8 Yes

Popular Name: 2-(2-Methoxyethoxy)ethanol 2-(2-Methoxyethoxy)ethanol

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CAS Numbers: 111-77-3 , [111-77-3]

Download: MOL2 SDF SMILES Flexibase

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Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.63 -1.61 -6.5 1 3 0 39 120.148 5 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 70 Acros Organics
Melting_Point 70? Alfa-Aesar
Melting_Point 70° Alfa-Aesar
BP 193 TCI
BP [°C] 194 Acros Organics
Boiling_Point 194? Alfa-Aesar
Boiling_Point 194° Alfa-Aesar
Purity 95% Fluorochem
H phrase H361: Suspected of damaging fertility or the unborn child Acros Organics
H phrase H361d: Suspected of damaging the unborn child Acros Organics
P phrase P281: Use personal protective equipment as required Acros Organics
P phrase P281: Use personal protective equipment as required; P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention Acros Organics
R phrase R63: Possible risk of harm to the unborn child. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
Hazard XN: Harmful Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )