UCSF

ZINC02026960

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 9 Yes

Popular Name: 1-Octen-3-ol 1-Octen-3-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 24587-53-9 , 3391-86-4 , 4437-51-8 , [3391-86-4]

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) 2.76 -0.01 -1.58 1 1 0 20 128.215 5 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 49? Alfa-Aesar
Melting_Point 49° Alfa-Aesar
ALOGPS_SOLUBILITY 1.31e+00 g/l DrugBank-experimental
BP 166 TCI
Boiling_Point 173-175? Alfa-Aesar
Boiling_Point 173-175° Alfa-Aesar
BP [°C] 174 Acros Organics
Patent Database Links EP1629837 ChEBI
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H319: Causes serious eye irritation; H315: Causes skin irritation Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; 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 E Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/38: Irritating to eyes 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 XN: Harmful Acros Organics

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