3-Pentanol Structure

3-Pentanol

Chemical Properties

Melting point -75 °C
Boiling point 114-115 °C/749 mmHg (lit.)
Density  0.815 g/mL at 25 °C (lit.)
vapor pressure  11.69 hPa (25 °C)
refractive index  n20/D 1.410(lit.)
FLAVIS Number 02.077 | Pentan-3-ol
Flash point 105 °F
storage temp.  Store below +30°C.
solubility  Soluble in acetone, benzene, ethanol and diethyl ether.
form  Liquid
pka 15.31±0.20(Predicted)
color  Clear colorless
Relative polarity 0.463
Odor at 0.10 % in propylene glycol. sweet herbal oily nutty
Odor Type herbal
explosive limit 1.2-8%(V)
Water Solubility  5.5 g/100 mL (30 ºC)
Specific Heat Capacity Cp(liquid): 2.72 J/(g·K), at 25℃
Merck  14,7120
BRN  1730964
Henry's Law Constant 6.0×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant 17.0(20℃)
Stability Stable. Combustible. Incompatible with strong oxidizing agents.
InChI 1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
InChIKey AQIXEPGDORPWBJ-UHFFFAOYSA-N
SMILES CCC(O)CC
LogP 1.210
CAS DataBase Reference 584-02-1(CAS DataBase Reference)
EWG's Food Scores 1-3
FDA UNII X4ELC182I5
NIST Chemistry Reference 3-Pentanol(584-02-1)
EPA Substance Registry System 3-Pentanol (584-02-1)
UNSPSC Code 12352104
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H226-H302-H315-H335
Precautionary statements P210-P233-P240-P241-P301+P312-P303+P361+P353
Hazard Codes  Xn
Risk Statements  10-20-37-66-37/38
Safety Statements  46-36/37
RIDADR  UN 1105 3/PG 3
OEB A
OEL TWA: 100.0 ppm; 360.0 mg/m3, STEL: 125.0 ppm; 450.0 mg/m3
WGK Germany  1
RTECS  SA5075000
Autoignition Temperature 815 °F
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  29051500
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Oral
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Toxicity LD50 orally in Rabbit: 1870 mg/kg LD50 dermal Rabbit 2066 mg/kg
NFPA 704:
3
1 0

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3-Pentanol Chemical Properties,Usage,Production

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