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2-Decyn-1-ol

2-Decyn-1-ol structure

CAS No:
4117-14-0
Formula:
C10H18O
Chemical Name:
2-Decyn-1-ol
Synonyms:
Decynol;2-DECYN-1-OL;Dec-2-yn-1-ol;2-Decyne-1-ol;2-DECYN-1-OL97%;TIMTEC-BBSBB008898;Heptyl(hydroxymethyl)acetylene;N-HEPTYLHYDROXYMETHYLACETYLENE
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Decyn-1-ol Basic Attributes

Molecular Weight：

154.253

Exact Mass：

154.135757

UNII：

L4949B9XH9

DSSTox ID：

DTXSID6022214

HScode：

2905290000

Characteristics

PSA：

20.2

XLogP3：

3.31

Density：

0.9±0.1 g/cm3

Melting Point：

1.9°C (estimate)

Boiling Point：

170.1±8.0 °C at 760 mmHg

Flash Point：

58.4±11.4 °C

Refractive Index：

1.462

Safety Information

wgk germany：

safety instructions：

S23-S24/25

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：

H315

2-Decyn-1-ol Use and Manufacturing

2-Decyn-1-ol is used in the synthesis of antitumor agents, isomers of Panaxytriol and Falcarinol (F101100). Also used in the synthesis of aromatase inhibitors used in the treatment of cancers, primari ly breast and ovarian.

Computed Properties

Molecular Weight:154.25
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:154.135765193
Monoisotopic Mass:154.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes