UCSF

ZINC01529404

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 13 No

Popular Name: Lauraldehyde Lauraldehyde

Find On: PubMed — Wikipedia — Google

CAS Number: 112-54-9

Download: MOL2 SDF SMILES Flexibase

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) 5.61 2.62 -4.58 0 1 0 17 184.323 10 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 12 Acros Organics
Melting_Point 12? Alfa-Aesar
Melting_Point 12° Alfa-Aesar
Boiling_Point 184-186?/100mm Alfa-Aesar
Boiling_Point 184-186°/100mm Alfa-Aesar
BP [°C] 237 - 239 Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H317: May cause an allergic skin reaction; H411: Toxic to aquatic life with long lasting effects Acros Organics
H phrase H411: Toxic to aquatic life with long lasting effects Acros Organics
P phrase P273: Avoid release to the environment Acros Organics
P phrase 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 easy to do. Continue rinsing; P302 + P352: IF ON SKIN: Acros Organics
R phrase R36/38: Irritating to eyes and skin.; R43: May cause sensitisation by skin contact.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
R phrase R38: Irritating to skin. Acros Organics
S phrase S29: Do not empty into drains. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XI: Irritant; N: Dangerous for the environment Acros Organics

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