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| CAS No.: | 1611-57-0 | ||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Name: | TERT-OCTYL ISOCYANATE | ||||||||||||||
| Molecular Structure: | |||||||||||||||
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| Formula: | C9H17 N O | ||||||||||||||
| Molecular Weight: | 155.24 | ||||||||||||||
| Synonyms: | Isocyanicacid, 1,1,3,3-tetramethylbutyl ester (6CI,7CI,8CI); 1,1,3,3-Tetramethylbutylisocyanate; 2,2,4-Trimethylpentan-4-yl isocyanate;2-Isocyanato-2,4,4-trimethylpentane; NSC 6402; tert-Octyl isocyanate | ||||||||||||||
| Density: | 0.83g/cm3 | ||||||||||||||
| Boiling Point: | 183°Cat760mmHg | ||||||||||||||
| Flash Point: | 62.6°C | ||||||||||||||
| Hazard Symbols: |
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| Risk Codes: | 10-20/21/22-36/37/38 | ||||||||||||||
| Safety: |
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| PSA: | 29.43000 | ||||||||||||||
| LogP: | 2.53700 | ||||||||||||||
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Chemistry
Molecular Structure of 1,1,3,3-Tetramethylbutyl isocyanate (CAS No.1611-57-0):
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Molecular Formula: C9H17NO
Molecular Weight: 155.23738
CAS No: 1611-57-0
IUPAC Name: 2-Isocyanato-2,4,4-trimethylpentane
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 29.43 Å2
Index of Refraction: 1.431
Molar Refractivity: 48.06 cm3
Molar Volume: 185.6 cm3
Surface Tension: 26 dyne/cm
Density: 0.83 g/cm3
Flash Point: 62.6 °C
Enthalpy of Vaporization: 41.93 kJ/mol
Boiling Point: 183 °C at 760 mmHg
Vapour Pressure: 0.787 mmHg at 25°C
InChI: InChI=1/C9H17NO/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3
InChIKey: XOHBENIMDRFUIH-UHFFFAOYAT
Std. InChI: InChI=1S/C9H17NO/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3
Std. InChIKey: XOHBENIMDRFUIH-UHFFFAOYSA-N
Safety Profile
Hazard Codes:
Xn
Risk Statements:10-20/21/22-36/37/38
R10:Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:6-23-26-36/37/39
S6:Keep under ... (there follows the name of an inert gas).
S23:Do not breathe vapour.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR:UN 3080 6.1/PG 2
WGK Germany:3
HazardClass:6.1
PackingGroup:II
Specification
1,1,3,3-Tetramethylbutyl isocyanate (CAS No.1611-57-0), its synonyms are Tert-octyl isocyanate ; 1,1,3,3-Tetramethylbutyl isocyanate ; 2,4,4-Ttrimethyl-2-pentyl isocyanate ; 2-Isocyanato-2,4,4-trimethylpentane