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4-Pentyn-1-ol

4-Pentyn-1-ol structure

CAS No:
5390-04-5
Formula:
C5H8O
Chemical Name:
4-Pentyn-1-ol
Synonyms:
4-PENTYNE-1-OL;4-PENTYN-1-OL;4-Pentyn-1-ol, 98+%;4-Pentin-1-ol 97%;1-Pentyn-5-ol;1-Pentyne-5-ol;4-Pentynyl alcohol;4-Pentyn-1-ol,97%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

Clear yellow liquid

4-Pentyn-1-ol is an alkyne alcohol that is used as an initiator in ring-opening polymerization reactions. 4-Pentyn-1-ol is capable of undergoing cyclosisomerization, and is also used as a reactant in the synthesis of (+)-Serinolamide A, a cannabinoid CB1 receptor agonist.

Mechanism of (THF)W(CO)5-promoted endo- and exo-cycloisomerization of 4-pentyn-1-ol was studied.

4-Pentyn-1-ol Basic Attributes

Molecular Weight：

84.12

Exact Mass：

84.12

BRN：

1736712

EC Number：

226-383-6

NSC Number：

5274

DSSTox ID：

DTXSID70202175

Color/Form：

Clear yellow

HScode：

29052900

Characteristics

PSA：

20.23000

XLogP3：

0.5

Appearance：

clear to yellowish liquid

Density：

0.904 g/mL at 25 °C (lit.)

Melting Point：

-24.1°C (estimate)

Boiling Point：

154-155 °C (lit.)

Flash Point：

61.7±0.0 °C

Refractive Index：

n20/D1.445(lit.)

Water Solubility：

Miscible with water.

PKA：

14.81±0.10(Predicted)

Critical Temperature & Pressure：

Keep in dark place,Inert atmosphere,2-8°C

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

1987

wgk germany：

hazard class code：

safety instructions：

26-36-37/39

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

36/37/38

RIDADR：

1987

Caution Statement：

P261; P305 + P351 + P338

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 59 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-pentyn-1-ol

4-Pentyn-1-ol Use and Manufacturing

Computed Properties

Molecular Weight:84.12
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:84.057514874
Monoisotopic Mass:84.057514874
Topological Polar Surface Area:20.2
Heavy Atom Count:6
Complexity:57.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

1822-71-5

30428-24-1

96-48-0

18498-59-4

6581-54-0

Recommended Suppliers of 4-Pentyn-1-ol

Hangzhou KieRay Chem Co.,LTD Contact Supplier

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CAS No.: 5390-04-5

Grade: industrial Grade

Content: 98%

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CN
5 YRS

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Content: 99.00%

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CN
4 YRS

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More than 15 years GMP Factory Suppy 99.5% 4-Pentyn-1-ol Medical Grade CAS5390-04-5

CAS No.: 5390-04-5

Grade: Pharmaceutical Grade

Content: 99.5%

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