UCSF

ZINC01596062

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: 1-Undecanol 1-Undecanol

Find On: PubMed — Wikipedia — Google

CAS Number: 112-42-5

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) 4.66 5.81 -2.26 1 1 0 20 172.312 9 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 11 Acros Organics
Melting_Point 13-15? Alfa-Aesar
Melting_Point 13-15° Alfa-Aesar
BP [°C] 146 (p=30 torr) Acros Organics
Boiling_Point 243? Alfa-Aesar
Boiling_Point 243° Alfa-Aesar
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H411: Toxic to aquatic life with long lasting effects 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; P273: Avoid release to th Acros Organics
R phrase R36/38: Irritating to eyes and skin.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant; N: Dangerous for the environment Acros Organics

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