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2-Heptyn-1-ol

2-Heptyn-1-ol structure

CAS No:
1002-36-4
Formula:
C7H12O
Chemical Name:
2-Heptyn-1-ol
Synonyms:
2-Heptyn-1-ol;2-Heptynol;3-Butylpropargyl alcohol
Categories:
Organic Chemistry > Nitrogen Compounds

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Description

Clear colorless to yellow liquid

2-Heptyn-1-ol Basic Attributes

Molecular Weight：

112.17

Exact Mass：

112.17

EC Number：

600-040-4

HScode：

2905290000

Characteristics

PSA：

20.23000

XLogP3：

1.72

Appearance：

Clear colorless to yellow liquid

Density：

0.8854 g/cm³ @ Temp: 20 °C

Melting Point：

-35.25°C (estimate)

Boiling Point：

113-116 °C @ Press: 56 Torr

Flash Point：

172 °F

Refractive Index：

n 20/D 1.455(lit.)

Vapor Pressure：

1.93mmHg at 25°C

Safety Information

Transport codes：

1987

wgk germany：

hazard class code：

R22;R36/37/38

safety instructions：

37/39-26

Marks：

Xi,Xn

Precautionary statement(s)：

P261, P285, P304+P341, P342+P311, P501

Hazard Statements：

H334

RIDADR：

UN 1987

Caution Statement：

P261; P342 + P311

GHS Classification：

|Danger|H334 (97.44%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]|P261, P285, P304+P341, P342+P311, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:112.17
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:112.088815002
Monoisotopic Mass:112.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:93.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

107-19-7

73961-60-1

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Hept-2-Yn-1-Ol

Unit Price: $12.06 /G EXW

CAS No.: 1002-36-4

Grade: Reagent Grade

Content: 98%

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