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Cas Database |
| Name |
3-Pentanol |
EINECS | 209-526-7 |
| CAS No. | 584-02-1 | Density | 0.815 |
| PSA | 20.23000 | LogP | 1.16730 |
| Solubility | 5.5 g/100 mL (30 ºC) | Melting Point |
-75 ºC |
| Formula | C5H12 O | Boiling Point | 114-116 ºC |
| Molecular Weight | 88.1497 | Flash Point | 40 ºC |
| Transport Information | UN 1105/2706 | Appearance | colourless liquid |
| Safety | Moderately toxic by ingestion, skin contact, and intraperitoneal routes. A severe eye and mild skin irritant. Dangerous fire and explosion hazard when exposed to heat, flame, or oxidizing materials. Used as a flotation agent, a solvent, and in organic synthesis. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S.. | Risk Codes | R10;R20;R37;R66 |
| Molecular Structure |
|
Hazard Symbols |
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| Synonyms |
1-Ethyl-1-propanol;1-Ethylpropyl alcohol; 3-Pentyl alcohol; Diethyl carbinol; NSC 8654; sec-Amylalcohol; sec-Pentanol; sec-Pentyl alcohol |
Article Data | 238 |
3-Pentanol Chemical Properties
IUPAC Name: Pentan-3-ol
CAS: 584-02-1
EINECS: 209-526-7
Product Categories: Industrial/Fine chemicals
Following is the Molecular Structure of Isoamyl alcohol (584-02-1):
SMILES: OC(CC)CC
InChI: InChI=1/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
InChIKey: AQIXEPGDORPWBJ-UHFFFAOYAU
Std.InChI: InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
Std.InChIKey: AQIXEPGDORPWBJ-UHFFFAOYSA-N
Molecular Formula: C5H12O
Molecular Weight: 88.15
Melting Point: -75℃
Boiling Point: 115.3℃ at 760mmHg
Flash Point: 40.6℃
Molar Volume: 108.9cm3
Density: 0.809g/cm3
Molar Refractivity: 26.7cm3
Surface Tension: 25.6dyne/cm
Polarizability: 10.58 10-24cm3
Enthalpy of Vaporization: 41.22kJ/mol
Vapour Pressure: 9.66mmHg at 25℃
Index of Refraction: 1.405
Refractive Index: n20/D 1.410(lit.)
Water Solubility: 5.5g/100mL(30℃)
3-Pentanol Uses
Used as a flotation agent,a solvent,and in organic synthesis.
3-Pentanol Toxicity Data With Reference
| rabbit | LD50 | skin | 2520uL/kg (2.52mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| rat | LD50 | oral | 1870mg/kg (1870mg/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| rat | LDLo | intraperitoneal | 1950mg/kg (1950mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 27, Pg. 1, 1945. |
3-Pentanol Consensus Reports
Reported in EPA TSCA Inventory.
3-Pentanol Safety Profile
Hazard Codes:
Xn Harmful.
Risk Statements 10-20-37-66
R10: Flammable.
R20: Harmful by inhalation.
R37: Irritating to the respiratory system.
R66: Repeated exposure may cause skin dryness or cracking.
Safety Statements: 46
S46: If swallowed,seek medical advice immediately and show this container or label.
RIDADR: UN 1105 3/PG 3
WGK: Germany 1
RTECS: SA5075000
HazardClass: 3
PackingGroup: III
HS Code: 29051500
Moderately toxic by ingestion,skin contact,and intraperitoneal routes.A severe eye and mild skin irritant.
3-Pentanol Standards and Recommendations
OSHA PEL: TWA 100 ppm; STEL 125 ppm.
ACGIH TLV: TWA 100 ppm; STEL 125 ppm.
DFG MAK: 100 ppm (360 mg/m3).
3-Pentanol Specification
Isoamyl alcohol (584-02-1),which also can be called for (C2H5)2CHOH ; 1-Ethyl-1-propanol ; 3-Pentyl alcohol ; 3-Pentylalcohol ; Alcool3-pentylique ; Diethylcarbinol(3-pentanol) ; Pentan-3-ol ; Pentanol(non-specificname) . Isoamyl alcohol (584-02-1) is viscous, colorless liquid with a characteristic,slightly pungent and penetrating odor. It's soluble in water.This chemical is stable under normal temperatures and pressures.After decomposition, Isoamyl alcohol (584-02-1) turned into Carbon monoxide ,irritating and toxic fumes and gases, Carbon dioxide .Take care of this chemical is flammable.When heated to decomposition it emits acrid smoke and irritating fumes.
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