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3,5-Dimethyl-1-hexyn-3-ol

3,5-Dimethyl-1-hexyn-3-ol structure

CAS No:
107-54-0
Formula:
C8H14O
Chemical Name:
3,5-Dimethyl-1-hexyn-3-ol
Synonyms:
1-Hexyn-3-ol,3,5-dimethyl-;3,5-Dimethyl-1-hexyn-3-ol;Surfynol 61;3,5-Dimethylhexyn-3-ol;NSC 978;Surfynol S 61;3,5-Dimethyl-1-hexyne-3-ol;Surfinol 61;2567947-46-8
Categories:
Organic Chemistry > Nitrogen Compounds

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Description

clear colorless to yellowish liquid

3,5-Dimethyl-1-hexyn-3-ol Basic Attributes

Molecular Weight：

126.199

Exact Mass：

126.20

EC Number：

203-500-9

NSC Number：

978

DSSTox ID：

DTXSID6041472

HScode：

29052900

Characteristics

PSA：

20.2

XLogP3：

1.55

Appearance：

clear colorless to yellowish liquid

Density：

0.859 g/cm³ @ Temp: 12 °C

Melting Point：

-39°C (estimate)

Boiling Point：

148 °C @ Press: 760 Torr

Flash Point：

112 °F

Refractive Index：

n 20/D 1.434(lit.)

Water Solubility：

2.20e-01 g/l

Storage Conditions：

Flammables area

Vapor Pressure：

4.5 mm Hg ( 20 °C)

Vapor Density：

4.34 (vs air)

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 1986 3/PG 3

wgk germany：

hazard class code：

R10

safety instructions：

16-26-36/37/39-45

Marks：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (99.5%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 237 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

glutathionyl-3-hydroxykynurenine glucoside

3,5-Dimethyl-1-hexyn-3-ol Use and Manufacturing

Manufacturing Info：

1-Hexyn-3-ol, 3,5-dimethyl-: ACTIVE

Computed Properties

Molecular Weight:126.20
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:126.104465066
Monoisotopic Mass:126.104465066
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:129
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 107-54-0

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Guide of 3,5-Dimethyl-1-hexyn-3-ol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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3,5-Dimethyl-1-hexyn-3-ol

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