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Butanol purity 99% Butanol high quality cas 35296-72-1
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【Name】
Butanol
【CAS Registry number】
35296-72-1
【Synonyms】
Butanol【general】
【EINECS(EC#)】
225-201-2
【Molecular Formula】
C4H10O (Products with the same molecular formula)
【Molecular Weight】
74.1216
【Inchi】
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
【Canonical SMILES】
CCCCO
【MOL File】
35296-72-1.mol
Chemical and Physical Properties
【Density】
0.805 g/cm3
【Melting Point】
-89.8 deg C
【Boiling Point】
117.7 oC at 760 mmHg
【Flash Point】
35 oC
【Solubilities】
In water, 6.32X10+4 mg/l @ 25 deg C
Miscible with many organic solvents
Very soluble in acetone; miscible with ethanol and ethyl ether
> 10% in benzene
【Color/Form】
Colorless liquid
【Spectral properties】
Index of refraction: 1.3993 @ 20 deg C/D
Specific rotation: +9.8 at 20 deg C/D (water)
IR: 4807 (Coblentz Society Spectral Collection)
1H NMR: SAD 7200 (Sadtler Research Laboratories Spectral Collection)
13C NMR: STOT 140 (Stothers, Cabon-13 NMR Spectroscopy, Academic Press, New York)
MS: NIST 19177 (NIST/EPA/MCDC Mass Spectral Database 1990 version); NBS 23 (National Bureau of Standards)
Raman: SAD 180 (Sadtler Research Laboratories Spectral Collection)
【Computed Properties】
Molecular Weight:74.1216 [g/mol]
Molecular Formula:C4H10O
XLogP3:0.9
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:2
Exact Mass:74.073165
MonoIsotopic Mass:74.073165
Topological Polar Surface Area:20.2
Heavy Atom Count:5
Formal Charge:0
Complexity:13.1
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
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:8
Safety and Handling
【Safety Statements 】
S13;S26;S37/39
【Skin, Eye, and Respiratory Irritations】
May cause irritation of mucous membranes.
Vapor: Irritating to eyes, nose and throat; ... Liquid: Irritating to skin and eyes.
It is a strong irritant of the mucous membranes, eyes, skin & respiratory tract.
【Cleanup Methods】
1. REMOVE ALL IGNITION SOURCES. 2. VENTILATE AREA OF SPILL OR LEAK. 3. FOR SMALL QUANTITIES ABSORB ON PAPER TOWELS. EVAPORATE IN SAFE PLACE (SUCH AS FUME HOOD). ALLOW SUFFICIENT TIME FOR EVAPORATING VAPORS TO ... CLEAR HOOD DUCTWORK. BURN PAPER IN SUITABLE LOCATION AWAY FROM COMBUSTIBLE MATERIALS.
Waste water treatment: Activated carbon: adsorbability: 0.107 g/g C, 53.4% reduction, influent: 1,000 mg/l, effl: 466 mg/l; reverse osmosis: 41.3% rejection from a 0.01 M soln; stabilization pond design: toxicity correction factor: 2.0 at 4,000 mg/l influent; anaerobic lagoon: 22 lb Chemical Oxygen Demand (COD)/day/1,000 cu ft: influent: 170 mg/l, effluent: 75 mg/l; 48 lb COD/day/1,000 cu ft: influent: 170 mg/l, effluent: 80 mg/l
【Fire Fighting Procedures】
Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide.
【Fire Potential】
FLAMMABLE LIQUID. MODERATELY EXPLOSIVE WHEN EXPOSED TO FLAME.
【Formulations/Preparations】
GRADE OR PURITY: 99+%
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