3-Methyl-4-heptanol
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3-Methyl-4-heptanol
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CAS No:
1838-73-9
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Formula:
C8H18O
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Chemical Name:
3-Methyl-4-heptanol
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Synonyms:
4-Heptanol,3-methyl-;3-Methyl-4-heptanol;5-Methyl-4-heptanol
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CAS No:
Characteristics
20.23000
2.19350
0.8335 g/cm3 @ Temp: 25 °C
103.2 °C @ Press: 100 Torr
64.2ºC
1.427
0.654mmHg at 25°C
Safety Information
III
UN 1987
S23-S24/25
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:130.23
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:130.135765193
Monoisotopic Mass:130.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:61.6
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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