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3-Isopropyl-4-methyl-1-pentyn-3-ol

3-Isopropyl-4-methyl-1-pentyn-3-ol structure

CAS No:
5333-87-9
Formula:
C9H16O
Chemical Name:
3-Isopropyl-4-methyl-1-pentyn-3-ol
Synonyms:
1-Pentyn-3-ol,4-methyl-3-(1-methylethyl)-;1-Pentyn-3-ol,3-isopropyl-4-methyl-;4-Methyl-3-(1-methylethyl)-1-pentyn-3-ol;1,1-Diisopropylpropargyl alcohol;3,3-Diisopropyl-1-propyn-3-ol;α,α-Diisopropylpropargyl alcohol;1,1-Diisopropyl-2-propyn-1-ol;NSC 2355;NSC 71444;3-Isopropyl-4-methyl-1-pentyn-3-ol

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3-Isopropyl-4-methyl-1-pentyn-3-ol Basic Attributes

Molecular Weight：

140.226

Exact Mass：

140.22

NSC Number：

71444|2355

DSSTox ID：

DTXSID20277439

HScode：

2905290000

Characteristics

PSA：

20.2

XLogP3：

1.66270

Density：

0.8675 g/cm³ @ Temp: 23 °C

Boiling Point：

162-164 °C @ Press: 760 Torr

Flash Point：

55.9ºC

Refractive Index：

1.452

Safety Information

hazard class code：

R10

safety instructions：

S23-S24/25

Computed Properties

Molecular Weight:140.22
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:140.120115130
Monoisotopic Mass:140.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Isopropyl-4-methyl-1-pentyn-3-ol

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-Isopropyl-4-methyl-1-pentyn-3-ol

SDS

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