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| CAS No.: | 96-14-0 |
|---|---|
| Name: | 3-METHYLPENTANE |
| Article Data: | 219 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H14 |
| Molecular Weight: | 86.1772 |
| Synonyms: | 3-Methylpentane;NSC 66497 |
| EINECS: | 202-481-4 |
| Density: | 0.664 g/mL at 25 °C(lit.) |
| Melting Point: | -118 °C |
| Boiling Point: | 62.7 °C at 760 mmHg |
| Flash Point: | -6ºC |
| Solubility: | insoluble in water |
| Appearance: | clear, colorless liquid |
| Hazard Symbols: |
 F Xn N
|
| Risk Codes: | 11-36-51/53-65 |
| Safety: | May have narcotic or anesthetic properties. A very dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. Explosive in the form of vapor when exposed to heat or flame. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. |
| Transport Information: | UN 1208 3 |
| PSA: | 0.00000 |
| LogP: | 2.44250 |
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2-vinyl-1,3-butadien
- 96-14-0
3-methylpentane
| Conditions | Yield |
|---|---|
| With hydrogen; platinum(IV) oxide at 100℃; | 100% |
- 12176-06-6
hydrido(tricarbonyl)(cyclopentadienyl)molybdenum
- 922-61-2
3-methyl-2-pentene
- 1493-13-6
trifluorormethanesulfonic acid
B
- 96-14-0
3-methylpentane
| Conditions | Yield |
|---|---|
| In dichloromethane-d2 react. at 22°C for 5 min; detecting by n.m.r. spectroscopy; | A n/a B 100% |
- 12128-26-6
tricarbonylcyclopentadienyltungsten(II) hydride
- 922-61-2
3-methyl-2-pentene
- 1493-13-6
trifluorormethanesulfonic acid
B
- 96-14-0
3-methylpentane
| Conditions | Yield |
|---|---|
| In dichloromethane-d2 react. at -80°C for 10 min; detecting by n.m.r. spectroscopy; | A n/a B 100% |
| Conditions | Yield |
|---|---|
| With KL zeolite; potassium chloride; hydrogen; platinum at 469.9℃; under 2250.2 Torr; for 3h; Product distribution; other catalysts; | A n/a B n/a C 88.3% |
| With mesoporous silica (MCF-17)/Pt at 360℃; Reagent/catalyst; |
- 110-54-3
hexane
A
- 96-14-0
3-methylpentane
B
- 107-83-5
2-Methylpentane
C
- 96-37-7
methyl-cyclopentane
D
- 71-43-2
benzene
| Conditions | Yield |
|---|---|
| at 267.9℃; Product distribution; transformation of n-hexane over Pt black in the presence of hydrogen; effect of the partial pressure of hydrogen and temperature; | A 1.1% B 4.9% C 70.7% D 0.8% E n/a |
- 1418118-69-0
C30H74O6Si6
A
- 110-54-3
hexane
B
- 96-14-0
3-methylpentane
C
- 107-83-5
2-Methylpentane
D
- 79-29-8
2,3-dimethylbutane
| Conditions | Yield |
|---|---|
| With H2SiEt2; [(2,6-[OP(tBu)2]2C6H3)Ir(H)(acetone)]+[B(C6F5)4]- for 336h; Inert atmosphere; Glovebox; | A 45% B 6% C 8% D n/a |
| Conditions | Yield |
|---|---|
| With H2SiEt2; [(2,6-[OP(tBu)2]2C6H3)Ir(H)(acetone)]+[B(C6F5)4]- for 0.333333h; Inert atmosphere; Glovebox; | A 35% B 10% C 13% |
- 110-54-3
hexane
A
- 96-14-0
3-methylpentane
B
- 107-83-5
2-Methylpentane
C
- 75-83-2
2,2-Dimethylbutane
D
- 79-29-8
2,3-dimethylbutane
| Conditions | Yield |
|---|---|
| platinum at 250℃; Product distribution; Further Variations:; Catalysts; Temperatures; | A 22.1% B 34.8% C 12.9% D 9% |
| With hydrogen at 215℃; under 7500.75 Torr; Catalytic behavior; Kinetics; Reagent/catalyst; Temperature; Flow reactor; Overall yield = 62.1 %; | A n/a B n/a C 6.7% D 8% |
| Pt-Al2O3-Cl at 100 - 140℃; under 15001.2 Torr; Product distribution; |
- 1418118-67-8
C22H52O5Si4
A
- 110-54-3
hexane
B
- 96-14-0
3-methylpentane
C
- 107-83-5
2-Methylpentane
D
- 79-29-8
2,3-dimethylbutane
| Conditions | Yield |
|---|---|
| With H2SiEt2; [(2,6-[OP(tBu)2]2C6H3)Ir(H)(acetone)]+[B(C6F5)4]- for 336h; Inert atmosphere; Glovebox; | A 17% B 32% C 31% D n/a |
| Conditions | Yield |
|---|---|
| With H2SiEt2; [(2,6-[OP(tBu)2]2C6H3)Ir(H)(acetone)]+[B(C6F5)4]- for 336h; Inert atmosphere; Glovebox; | A 18% B 29% C 31% |
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Chemistry
Molecular Structure of 3-Methylpentane (96-14-0):
EINECS: 202-481-4
IUPAC Name: 3-Methylpentane
Molecular Formula: C6H14
Molecular Weight: 86.175360 g/mol
XLogP3-AA: 3.2
H-Bond Donor: 0
H-Bond Acceptor: 0
Canonical SMILES: CCC(C)CC
InChI: InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3
InChIKey: PFEOZHBOMNWTJB-UHFFFAOYSA-N
Index of Refraction: 1.382
Molar Refractivity: 29.8 cm3
Molar Volume: 127.9 cm3
Surface Tension: 19.3 dyne/cm
Density: 0.673 g/cm3
Melting Point: -118 °C
Boiling Point: 62.7 °C at 760 mmHg
Enthalpy of Vaporization: 28.06 kJ/mol
Vapour Pressure: 189 mmHg at 25 °C
Water Solubility: 31.09 mg/L at 25 °C
Refractive Index: n20/D 1.376(lit.)
Storage Temp.: Flammables area
BRN: 1730734
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of 3-Methylpentane (96-14-0):
Hazard Codes: F .gif){kind=small}
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Risk Statements: 11-36-51/53-65
11: Highly Flammable
36: Irritating to the eyes
51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
65: Harmful: May cause lung damage if swallowed
Safety Statements: 16-23-33-61-62
16: Keep away from sources of ignition - No smoking
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
33: Take precautionary measures against static discharges
61: Avoid release to the environment. Refer to special instructions safety data sheet
62: If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label
RIDADR: UN 1208 3/PG 2
WGK Germany: 2
RTECS: SA2995500
HazardClass: 3
PackingGroup: II
May have narcotic or anesthetic properties. A very dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. Explosive in the form of vapor when exposed to heat or flame. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.
Standards and Recommendations
DFG MAK: 200 ppm (720 mg/m3)
Specification
3-Methylpentane (96-14-0) is colorless clear liquid with gasoline-like. It is also known as AI3-28852 ; Diethylmethylmethane ; HSDB 5300 ; NSC 66497 ; Pentane, 3-methyl- . It is incompatible with strong oxidizing agents. When heated to decomposition, it yields Carbon monoxide , Carbon dioxide . It is a structural isomer of hexane composed of a methyl group bonded to the third carbon atom in a pentane chain. 3-Methylpentane (96-14-0) can be used in organic synthesis and used as a solvent.