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3-Octyn-1-ol

3-Octyn-1-ol structure

CAS No:
14916-80-4
Formula:
C8H14O
Chemical Name:
3-Octyn-1-ol
Synonyms:
3-Octyn-1-ol;NSC 67251
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to yellow liquid

3-Octyn-1-ol Basic Attributes

Molecular Weight：

126.2

Exact Mass：

126.20

BRN：

1739950

EC Number：

238-986-1

NSC Number：

67251

DSSTox ID：

DTXSID8065828

HScode：

29052900

Characteristics

PSA：

20.23000

XLogP3：

2.05

Appearance：

clear to yellowish oily liquid

Density：

0.8765 g/cm³ @ Temp: 20 °C

Melting Point：

-39°C (estimate)

Boiling Point：

97 °C

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.4569(lit.)

Water Solubility：

It is soluble in water.

Vapor Pressure：

0.031mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

RTECS Number：

238-986-1

Marks：

Precautionary statement(s)：

P261; P305 + P351 + P338

Hazard Statements：

H315; H319; H335

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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Octyn-1-ol Use and Manufacturing

Manufacturing Info：

3-Octyn-1-ol: ACTIVE

Computed Properties

Molecular Weight:126.20
XLogP3:2.1
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:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 14916-80-4

Grade: Industrial Grade

Content: 99%

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