UCSF

ZINC01693270

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 No

Popular Name: Decanal Decanal

Find On: PubMed — Wikipedia — Google

CAS Number: 112-31-2

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) 4.60 2.38 -4.62 0 1 0 17 156.269 8 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 5? Alfa-Aesar
Melting_Point 5° Alfa-Aesar
BP [°C] 207 - 209 Acros Organics
Boiling_Point 207-209? Alfa-Aesar
Boiling_Point 207-209° Alfa-Aesar
Mp [°C] 7 Acros Organics
UniProt Database Links AL1A2_CHICK; AL1A2_HUMAN; AL1A2_MOUSE; AL1A2_RAT; AL1A2_TAEGU; AL8A1_BOVIN; AL8A1_DANRE; AL8A1_HUMAN ChEBI
Patent Database Links EP0971025; EP0971027; EP1504744; EP1552814; EP1857436; EP1964544; US2006134724; US2007231278; WO2007110790; WO2007134666 ChEBI
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

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