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Key Documents

399701

Sigma-Aldrich

(R)-(+)-1-Octyn-3-ol

99%

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About This Item

Linear Formula:
CH3(CH2)4CH(OH)C≡CH
CAS Number:
Molecular Weight:
126.20
MDL number:
UNSPSC Code:
12352003
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

99%

form

liquid

optical activity

[α]20/D +6.5°, c = 2 in methylene chloride

optical purity

ee: 98% (GLC)

refractive index

n20/D 1.442 (lit.)

bp

100 °C/20 mmHg (lit.)

density

0.864 g/mL at 25 °C (lit.)

functional group

hydroxyl

SMILES string

CCCCC[C@@H](O)C#C

InChI

1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3/t8-/m0/s1

InChI key

VUGRNZHKYVHZSN-QMMMGPOBSA-N

Application

Key intermediate for the synthesis of prostaglandins.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

147.2 °F - closed cup

flash_point_c

64 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Tetrahedron Letters, 30, 3645-3645 (1989)
Journal of the American Chemical Society, 110, 4718-4718 (1988)
The Journal of Organic Chemistry, 53, 5590-5590 (1988)

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