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2-Pentyn-1-ol

2-Pentyn-1-ol structure

CAS No:
6261-22-9
Formula:
C5H8O
Chemical Name:
2-Pentyn-1-ol
Synonyms:
2-Pentyn-1-ol;2-Pentynol;2-Pentynyl alcohol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear light yellow liquid

2-Pentyn-1-ol Basic Attributes

Molecular Weight：

84.116

Exact Mass：

84.12

EC Number：

228-411-2

DSSTox ID：

DTXSID0064177

HScode：

2905290000

Characteristics

PSA：

20.23000

XLogP3：

0.66

Appearance：

clear liquid

Density：

0.9091 g/cm³ @ Temp: 20 °C

Melting Point：

-0.2ºC

Boiling Point：

0.154-4.200 °C

Flash Point：

58.3±0.0 °C

Refractive Index：

1.451

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1987 3/PG 3

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36/37/39-S37/39

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

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

Hazard Statements：

H226

RIDADR：

UN 1987

Caution Statement：

P261; P305 + P351 + P338

GHS Classification：

|Warning|H226 (97.78%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Pentyn-1-ol Use and Manufacturing

Manufacturing Info：

2-Pentyn-1-ol: ACTIVE

Computed Properties

Molecular Weight:84.12
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:84.057514874
Monoisotopic Mass:84.057514874
Topological Polar Surface Area:20.2
Heavy Atom Count:6
Complexity:72.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

6261-21-8

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