UCSF

ZINC00388075

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 8 Yes

Popular Name: HEXYLENE GLYCOL HEXYLENE GLYCOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 107-41-5 , 284474-72-2 , 99210-90-9 , [107-41-5]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.49 -0.03 -3.97 2 2 0 40 118.176 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 40 Acros Organics
Melting_Point 40? Alfa-Aesar
Melting_Point 40° Alfa-Aesar
ALOGPS_SOLUBILITY 1.62e+02 g/l DrugBank-experimental
BP [°C] 197 Acros Organics
Boiling_Point 197? Alfa-Aesar
Boiling_Point 197° Alfa-Aesar
UniProt Database Links CNTRL_HUMAN; DPM1_BOVIN; DPM1_CRIGR; DPM1_DICDI; DPM1_DROME; DPM1_HUMAN; DPM1_MOUSE; DPM1_PIG; DPM1_SCHPO; DPM1_USTMA; DPM1_YEAST; DPM3_BOVIN; DPM3_CAEBR; DPM3_CAEEL; DPM3_DICDI; DPM3_HUMAN; DPM3_MOUSE; DPM3_PONAB; DPM3_SCHPO; FGFR1_HUMAN; FGOP2_HUMAN; FR ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
Therapy humectant SMDC Pharmakon
P phrase P302+ P352: IF ON SKIN: Wash with plenty of soap and water Acros Organics
P phrase 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 for several minutes. Remove contact lenses, if present Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
PUBCHEM_PATENT_ID US5120732 IBM Patent Data
Hazard XI: Irritant Acros Organics

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