| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 5 | Yes |
Popular Name: n-Pentane n-Pentane
CHEBI:43771; CHEBI:25888; CHEBI:25889
n-Pentane, 95%, technical grade
n-Pentane, 99+%, Extra Dry, AcroSeal®
n-Pentane, 99+%, extra pure, anhydrous
n-Pentane, 99+%, for residue analysis, ECD tested for pesticide analysis
n-Pentane, 99+%, for spectroscopy
n-Pentane, capillary GC grade, 98+%
n-Pentane, capillary GC grade. 98+%
n-Pentane, Environmental Grade
n-Pentane, Environmental Grade, 98+%
n-Pentane, HPLC Grade, 99% min
n-Pentane, Spectrophotometric Grade
n-Pentane, Spectrophotometric Grade, 99+% min.
n-Pentane-d{12}, 98%(Isotopic)
| 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) | 3.15 | 4.47 | -0.03 | 0 | 0 | 0 | 0 | 72.151 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 130 | Acros Organics |
| Melting_Point | 130? | Alfa-Aesar |
| Melting_Point | 130° | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 2.10e-01 g/l | DrugBank-experimental |
| BP [°C] | 36 | Acros Organics |
| Boiling_Point | 36? | Alfa-Aesar |
| Boiling_Point | 36° | Alfa-Aesar |
| BP | 37 | TCI |
| Purity | 99% | Fluorochem |
| UniProt Database Links | ADHA_THEET; ADHN_RHOER; OPH_PSESP; OPH_SPHS1; TAUD_ECOLI | ChEBI |
| Patent Database Links | EP0911338; EP0926136; EP1024137; EP1063224; EP1110959; EP1113012; EP1180516; EP1229012; EP1283204; EP1288213; EP1422213; EP1428530; EP1454899; EP1514844; EP1550659; EP1582523; EP1604649; EP1604694; EP1604975; EP1611877; EP1623740; EP1626048; EP1666476; EP | ChEBI |
| Hazard | F+: Extremely flammable | Acros Organics |
| Hazard | F+: Extremely flammable; XN: Harmful; N: Dangerous for the environment | Acros Organics |
| H phrase | H304: May be fatal if swallowed and enters airways | Acros Organics |
| H phrase | H304: May be fatal if swallowed and enters airways; H336: May cause drowsiness or dizziness; H411: Toxic to aquatic life with long lasting effects; H225: Highly flammable liquid and vapor; EUH066: Repeated exposure may cause skin dryness or cracking | 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; P301+ P310: IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician; P331: Do NOT induce vomiting; P273: Avoid release to the environment; P210: Keep away from heat/sparks/open flames/hot s | Acros Organics |
| R phrase | R12: Extremely flammable. | Acros Organics |
| R phrase | R12: Extremely flammable.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.; R65: Harmful: may cause lung damage if swallowed.; R66: Repeated exposure may cause skin dryness or cracking.; R67: Vapours may | Acros Organics |
| S phrase | S9: Keep container in a well-ventilated place. | Acros Organics |
| S phrase | S9: Keep container in a well-ventilated place.; S16: Keep away from sources of ignition - No smoking.; S29: Do not empty into drains.; S33: Take precautionary measures against static discharges.; S61: Avoid release to the environment. Refer to special ins | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.