UCSF

ZINC00967332

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2004 10 Yes

Popular Name: 2,4,6-Trimethylphenol 2,4,6-Trimethylphenol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 527-60-6 , [527-60-6]

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) 2.92 3.8 -3.7 1 1 0 20 136.194 0 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 220 Acros Organics
Boiling_Point 220-221? Alfa-Aesar
Boiling_Point 220-221° Alfa-Aesar
Mp [°C] 70 - 73 Acros Organics
Melting_Point 70-74? Alfa-Aesar
Melting_Point 70-74° Alfa-Aesar
MP 71 - 74 Enamine Building Blocks
MP 71...74 Enamine Building Blocks
MP 72 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
BP 95 / 10 TCI
Hazard C: Corrosive Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
PUBCHEM_PATENT_ID US3966818 IBM Patent Data
PUBCHEM_PATENT_ID WO1998007695A1 IBM Patent Data

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