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2-Ethyl-4-methylpentanol

2-Ethyl-4-methylpentanol structure

CAS No:
106-67-2
Formula:
C8H18O
Chemical Name:
2-Ethyl-4-methylpentanol
Synonyms:
1-Pentanol,2-ethyl-4-methyl-;2-Ethyl-4-methyl-1-pentanol;2-Ethyl-4-methylpentanol;111767-90-9;10137-88-9
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

2-Ethyl-4-methyl-1-pentanol is a primary alcohol.

2-Ethyl-4-methylpentanol Basic Attributes

Molecular Weight：

130.23

Exact Mass：

130.23

EC Number：

203-422-5

HScode：

2905199090

Characteristics

PSA：

20.23000

XLogP3：

2.05100

Density：

0.830 g/cm³ @ Temp: 20 °C

Melting Point：

-61.15°C (estimate)

Boiling Point：

75-77 °C @ Press: 10 Torr

Flash Point：

64.2ºC

Refractive Index：

1.4270

Water Solubility：

1594 mg/L @ 25 °C (est)

Vapor Pressure：

0.449mmHg at 25°C

PKA：

15.05±0.10

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2-Ethyl-4-methylpentanol Use and Manufacturing

Manufacturing Info：

1-Pentanol, 2-ethyl-4-methyl-: ACTIVE

Computed Properties

Molecular Weight:130.23
XLogP3:2.4
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:59.6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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