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Name |
Heptane,2,2,4,6,6-pentamethyl- |
EINECS | 250-816-8 |
CAS No. | 13475-82-6 | Density | 0.75g/cm3 |
PSA | 0.00000 | LogP | 4.49490 |
Solubility | 25ug/L(25 oC) | Melting Point |
-67°C |
Formula | C12H26 | Boiling Point | 177.1 °C at 760 mmHg |
Molecular Weight | 170.338 | Flash Point | 58.4 °C |
Transport Information | N/A | Appearance | liquid |
Safety | 62-24/25-23 | Risk Codes | 10-65 |
Molecular Structure | Hazard Symbols | Xn; F | |
Synonyms |
2,2,4,6,6-Pentamethylheptane; |
1,1-dineopentylethylene
Permethyl 99A
Conditions | Yield |
---|---|
With nickel at 150℃; under 95616 Torr; Hydrogenation; |
3-tert-Butyl-2,4,4-trimethyl-pent-2-ene
Permethyl 99A
Conditions | Yield |
---|---|
With nickel Hydrogenation; |
Conditions | Yield |
---|---|
With sulfuric acid Hydrieren des Reaktionsgemisches in Gegenwart von Nickel bei 150grad und 16 at; |
isobutene
Permethyl 99A
Conditions | Yield |
---|---|
With aluminium trichloride; nitromethane at 70℃; Hydrierung der bei 178grad siedender Olefin-Fraktion an Raney-Nickel bei 200grad/200 at; |
Conditions | Yield |
---|---|
at 150℃; under 95616 Torr; Hydrogenation; |
Conditions | Yield |
---|---|
at 0℃; |
Permethyl 99A
C12(2)H26
Conditions | Yield |
---|---|
With 5% rhodium-on-charcoal; hydrogen; water-d2 at 160℃; for 12h; |
The Heptane,2,2,4,6,6-pentamethyl-, with CAS registry number 13475-82-6, has the systematic name of 2,2,4,6,6-pentamethylheptane. Besides this, it is also called Permethyl 99A. And the chemical formula of this chemical is C12H26. This chemical is incompatible with oxidizing agents. What's more, its EINECS is 250-816-8.
Physical properties of Heptane,2,2,4,6,6-pentamethyl-: (1)ACD/LogP: 6.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.22; (4)ACD/LogD (pH 7.4): 6.22; (5)ACD/BCF (pH 5.5): 31206.67; (6)ACD/BCF (pH 7.4): 31206.67; (7)ACD/KOC (pH 5.5): 57354.35; (8)ACD/KOC (pH 7.4): 57354.35; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.42; (14)Molar Refractivity: 57.53 cm3; (15)Molar Volume: 227 cm3; (16)Polarizability: 22.8×10-24cm3; (17)Surface Tension: 22.9 dyne/cm; (18)Density: 0.75 g/cm3; (19)Flash Point: 58.4 °C; (20)Enthalpy of Vaporization: 39.65 kJ/mol; (21)Boiling Point: 177.1 °C at 760 mmHg; (22)Vapour Pressure: 1.42 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Heptane,2,2,4,6,6-pentamethyl- is flammable. And it is harmful, so it may cause lung damage if swallowed. If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. When use it, do not breathe vapour and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)CC(CC(C)(C)C)C
(2)InChI: InChI=1/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3
(3)InChIKey: VKPSKYDESGTTFR-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3
(5)Std. InChIKey: VKPSKYDESGTTFR-UHFFFAOYSA-N