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5-Methyl-5-nonanol

5-Methyl-5-nonanol structure

CAS No:
33933-78-7
Formula:
C10H22O
Chemical Name:
5-Methyl-5-nonanol
Synonyms:
5-Nonanol,5-methyl-;5-Methyl-5-nonanol;2-Butyl-2-hexanol

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5-Methyl-5-nonanol Basic Attributes

Molecular Weight：

158.28

Exact Mass：

158.28

DSSTox ID：

DTXSID50187557

HScode：

2905199090

Characteristics

PSA：

20.23000

XLogP3：

3.11780

Density：

0.8253 g/cm³ @ Temp: 25 °C

Melting Point：

-1.53°C (estimate)

Boiling Point：

91.4-92.4 °C @ Press: 15 Torr

Flash Point：

81.1ºC

Refractive Index：

1.4326

PKA：

15.38±0.29

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:158.28
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:6
Exact Mass:158.167065321
Monoisotopic Mass:158.167065321
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:80.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Methyl-5-nonanol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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