UCSF

ZINC12358789

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 11 No

Popular Name: 3,7-Dimethyl-2,6-octadienal 3,7-Dimethyl-2,6-octadienal

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CAS Numbers: 106-26-3 , 5392-40-5

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) 3.65 3.04 -5.54 0 1 0 17 152.237 4 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.763 Bitter DB
Boiling_Point 228-229? Alfa-Aesar
Boiling_Point 228-229° Alfa-Aesar
BP [°C] 229 Acros Organics
Melting_Point <-10? Alfa-Aesar
Melting_Point <-10° Alfa-Aesar
MP <-10°C Indofine
UniProt Database Links GEDH1_OCIBA; GEOB_CASDE ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H317: May cause an allergic skin reaction Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear eye protection/face protection; P302+ P352: IF ON SKIN: Wash with plenty of soap and water Acros Organics
R phrase R38: Irritating to skin. Acros Organics
R phrase R38: Irritating to skin.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes.; S37: Wear suitable gloves. Acros Organics
Hazard XI: Irritant Acros Organics

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