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Key Documents

Safety Information

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.)

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

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

147.2 °F - closed cup

Flash Point(C)

64 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

399701-250MG:
399701-50G:
399701-BULK:
399701-VAR:
399701-1G:


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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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