UCSF

ZINC01081064

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 15 Yes

Popular Name: 1-(4-cyclohexylphenyl)ethanone 1-(4-cyclohexylphenyl)ethanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18594-05-3 , 92-91-1 , [18594-05-3]

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) 4.20 8.7 -6.19 0 1 0 17 202.297 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 117-123? Alfa-Aesar
Melting_Point 117-123° Alfa-Aesar
BP 128 / 1.5 TCI
Boiling_Point 168?/8mm Alfa-Aesar
Boiling_Point 168°/8mm Alfa-Aesar
BP [°C] 179 - 181 (p=14 torr) Acros Organics
Boiling_Point 179-181?/14mm Alfa-Aesar
Boiling_Point 179-181°/14mm Alfa-Aesar
Mp [°C] 66 - 70 Acros Organics
Melting_Point 66-70? Alfa-Aesar
Melting_Point 66-70° Alfa-Aesar
MP 67 TCI
MP 68 - 70 Enamine Building Blocks
MP 68...70 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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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