UCSF

ZINC01529247

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 11 No

Popular Name: 1-Decanol 1-Decanol

Find On: PubMed — Wikipedia — Google

CAS Number: 112-30-1

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) 4.15 -0.59 -2.34 1 1 0 20 158.285 8 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 220 - 240 Acros Organics
Boiling_Point 230-232? Alfa-Aesar
Boiling_Point 230-232° Alfa-Aesar
Mp [°C] 6 Acros Organics
Melting_Point 6? Alfa-Aesar
Melting_Point 6° Alfa-Aesar
PUBCHEM_PATENT_ID EP0316241A2; US4830952 IBM Patent Data
PUBCHEM_PATENT_ID EP0369812A2; US5059611 IBM Patent Data
Patent Database Links EP0867431; EP1057822; EP1647268; US2002037563; US2004082042; US2004241816; US2006160197; US2007196284; WO2005063708; WO2005070931; WO2006050002 ChEBI
H phrase H319: Causes serious eye irritation; H412: Harmful to aquatic life with long lasting effects Acros Organics
H phrase H332: Harmful if inhaled Acros Organics
P phrase P273: Avoid release to the environment Acros Organics
P phrase P273: Avoid release to the environment; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P280: Wear protective gloves/protective clothing/eye protection/fa Acros Organics
R phrase R19: May form explosive peroxides. Acros Organics
R phrase R20: Harmful by inhalation. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

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