CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid; [Alfa Aesar MSDS] |
|---|---|
| Boiling Point | 64.00 to 66.00 °C. @ 23.00 mm Hg |
| Solubility | very slightly |
| Density | 0.886-0.893 |
| Refractive Index | 1.445-1.451 |
| Kovats Retention Index | 977.1 977.1 981 981 982 980 983 984 977 973 981 980 980 980 986 978 982 983 984 981 973 979 979 984 977 984 981 982 982 984 973 978 981 977 981 977 993 973 973 970 983 972 979 980 975 975 973 973 980 981 973 981 983 983.6 973 979 978 980 977 977 980 980 977 975 976 977 978 979 977 977 972 983 983 975 977 977 978 977 982 978 |
| Chemical Classes | Other Classes -> Ethers, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 138.21 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 138.104465066 g/mol |
| Monoisotopic Mass | 138.104465066 g/mol |
| Topological Polar Surface Area | 13.1 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 80.8 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-pentylfuran is a member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a pentyl group. It is found in many heat-processed foods and drinks. It has a role as an Aspergillus metabolite, a human urinary metabolite, a volatile oil component, an insect repellent, a flavouring agent, a plant growth stimulator and a bacterial metabolite.