UCSF

ZINC03875629

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 10 Yes

Popular Name: 2-Methoxy-4-methylphenol 2-Methoxy-4-methylphenol

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CAS Numbers: 93-51-6 , N/A , [93-51-6]

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.73 2.29 -5.7 1 2 0 29 138.166 1 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.535 Bitter DB
Mp [°C] 2 Acros Organics
Boiling_Point 220-222? Alfa-Aesar
Boiling_Point 220-222° Alfa-Aesar
BP 221 TCI
MP 5 TCI
Melting_Point 5-6? Alfa-Aesar
Melting_Point 5-6° Alfa-Aesar
MP 5° Oakwood Chemical
BP 79°/4mm Oakwood Chemical
Purity 95% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H317: May cause an allergic skin reaction Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye Acros Organics
R phrase R22: Harmful if swallowed.; R36/38: Irritating to eyes and skin.; R43: May cause sensitisation by skin contact. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

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