UCSF

ZINC01680363

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 22 Yes

Popular Name: Dipentyl phthalate Dipentyl phthalate

Find On: PubMed — Wikipedia — Google

CAS Number: 131-18-0

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) 5.44 12.7 -12.33 0 4 0 53 306.402 12 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 55 Acros Organics
BP [°C] 342 Acros Organics
Boiling_Point 342? Alfa-Aesar
Boiling_Point 342° Alfa-Aesar
Purity 95% Fluorochem
UniProt Database Links CATC_BOVIN; CATC_CANFA; CATC_HUMAN; CATC_MACFA; CATC_MOUSE; CATC_PONAB; CATC_RAT; CETN1_MOUSE; CIC_DROME; DECA_DROME; DECA_DROPS; DECA_DROSI; DPP10_HUMAN; DPP10_MOUSE; DPP10_RAT; DPP2_HUMAN; DPP2_MOUSE; DPP2_RAT; DPP3_BLACR; DPP3_DICDI; DPP3_DROME; DPP3_H ChEBI
H phrase H360FD: May damage fertility. May damage the unborn child Acros Organics
H phrase H360FD: May damage fertility. May damage the unborn child; H400: Very toxic to aquatic life Acros Organics
P phrase P201: Obtain special instructions before use Acros Organics
P phrase P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention; P273: Avoid release to the environment Acros Organics
R phrase R60: May impair fertility. Acros Organics
R phrase R60: May impair fertility.; R61: May cause harm to the unborn child.; R50: Very toxic to aquatic organisms. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid release to the environment. Refer to special instructions / safety Acros Organics
Hazard T: Toxic Acros Organics
Hazard T: Toxic; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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