| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 6 | Yes |
Popular Name: Hexane Hexane
Find On: PubMed — Wikipedia — Google
CAS Numbers: 110-54-3 , 141-94-6 , 21666-38-6 , 92112-69-1
"n-Hexane, 95% [ACS/HPLC Certified]"
"n-Hexane, 99% [SuperDry, J&KSeal]"
"n-Hexane, 99% [SuperDry, with molecular sieves, J&KSeal]"
110-54-3; C11271; Hexane; n-Hexane
CHEBI:43148; CHEBI:10606; CHEBI:24566; CHEBI:24568
Hexane [for Liquid Paraffin Test]
Hexane [for Spectrophotometry]
Hexane [Standard Material for GC]
Hexanes, technical, mixture of isomers
HEXANES,MIXTURE OF ISOMERS,FOR SPECTROSCOPY
n-Hexane, 95%, for residue analysis, ECD tested halocarbons free grade
n-Hexane, 95%, for residue analysis, for trace analysis of polyaromatic hydrocarbons
n-Hexane, 96+%, Extra Dry, AcroSeal§4
n-Hexane, 96+%, Extra Dry, AcroSeal®
n-Hexane, 97%, Extra Dry over Molecular Sieve, AcroSeal§4
n-Hexane, 97%, Extra Dry over Molecular Sieve, AcroSeal®
n-Hexane, 97%, for electronic use, residue free
n-Hexane, Environmental grade, 95+%
n-Hexane, for analysis, contains appr. 95% n-Hexane
n-Hexane, for pesticide residue analysis, approx. 95% n-Hexane
n-Hexane, for residue and pesticides anal., ca. 95% n-Hexane
n-Hexane, Spectrophotometric Grade
n-Hexane, Spectrophotometric Grade, 95+%
n-Hexane, Spectrophotometric Grade, 95+%, packaged under Argon in resealable ChemSeal^t bottles
| 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) | 3.66 | 1.84 | 0 | 0 | 0 | 0 | 0 | 86.178 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 95 | Acros Organics |
| M.P | 95 °C | Indofine |
| Melting_Point | 95? | Alfa-Aesar |
| Melting_Point | 95° | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 3.33e-02 g/l | DrugBank-experimental |
| Boiling_Point | 65-70? | Alfa-Aesar |
| Boiling_Point | 65-70° | Alfa-Aesar |
| BP | 68 | TCI |
| BP [°C] | 69 | Acros Organics |
| Boiling_Point | 69? | Alfa-Aesar |
| Boiling_Point | 69° | Alfa-Aesar |
| UniProt Database Links | ADHN_RHOER; LIP_STRRM; LPTD_ACIAC; LPTD_ACIAD; LPTD_ACISJ; LPTD_ACTP2; LPTD_ACTP7; LPTD_ACTPJ; LPTD_AERHH; LPTD_AERS4; LPTD_ALCBS; LPTD_ALKEH; LPTD_AROAE; LPTD_AZOSB; LPTD_BORA1; LPTD_BORBR; LPTD_BORPA; LPTD_BORPE; LPTD_BURCA; LPTD_BURCH; LPTD_BURCM; LPTD | ChEBI |
| Patent Database Links | EP0787733; EP0795553; EP0796845; EP0839850; EP0879817; EP0908460; EP0911338; EP0926136; EP0933360; EP0949255; EP0955297; EP0957098; EP0970953; EP0970955; EP1000943; EP1018510; EP1020464; EP1024137; EP1046635; EP1048653; EP1050532; EP1054008; EP1063224; EP | ChEBI |
| PUBCHEM_PATENT_ID | EP0966956A1; EP0968702A1; EP0968702B1 | IBM Patent Data |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly 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; H315: Causes skin irritation; H373: May cause damage to organs through prolonged or repeated exposure; H411: Toxic to aquatic life with long lasting effects; H361 | Acros Organics |
| H phrase | H304: May be fatal if swallowed and enters airways; H411: Toxic to aquatic life with long lasting effects; H315: Causes skin irritation; H373: May cause damage to organs through prolonged or repeated exposure; H336: May cause drowsiness or dizziness; H361 | Acros Organics |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H411: Toxic to aquatic life with long lasting effects; H304: May be fatal if swallowed and enters airways; H336: May cause drowsiness or dizziness; H373: May cause damage to organs through prolonged or repeated exposure; H361 | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P281: Use personal protective equipment as required; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P301+ P310: IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physic | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P281: Use personal protective equipment as required; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P260: | Acros Organics |
| P phrase | P281: Use personal protective equipment as required | Acros Organics |
| P phrase | P281: Use personal protective equipment as required; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P301+ P310: IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician; P331: Do NOT | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R38: Irritating to skin.; R48/20: Harmful : danger of serious damage to health by prolonged exposure through inhalation.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.; R62: Pos | 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.; S36/37: Wear suitable protective clothing and gloves.; S61: | Acros Organics |
| PUBCHEM_PATENT_ID | US4963566 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.