UCSF

ZINC02034809

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 7 Yes

Popular Name: Methyl lactate Methyl lactate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 17392-83-5 , 27871-49-4 , 547-64-8 , [547-64-8]

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) -0.09 0.43 -5.63 1 3 0 47 104.105 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 144 TCI
BP [°C] 144 - 145 Acros Organics
MP 144...145 Enamine Building Blocks
BP 33 / 8.3 TCI
BP [°C] 35 (p=6 torr) Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H226: Flammable liquid and vapor Acros Organics
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H319: Causes serious eye irritation; H226: Flammable liquid and vapor 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; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R36/37: Irritating to eyes and respiratory system. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
Hazard XI: Irritant Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.