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Merck
CN

45366

(S)-(−)-1,2-Epoxyoctane

≥98.0% (sum of enantiomers, GC)

Synonym(s):

(S)-(−)-1-Octene oxide, (S)-(−)-2-Hexyloxirane

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About This Item

Empirical Formula (Hill Notation):
C8H16O
CAS Number:
50418-68-3
Molecular Weight:
128.21
PubChem Substance ID:
57650311
UNSPSC Code:
12352005
Beilstein/REAXYS Number:
79914
MDL number:
MFCD00270134
Assay:
≥98.0% (sum of enantiomers, GC)

Key Documents

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SMILES string

CCCCCC[C@H]1CO1

InChI

1S/C8H16O/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3/t8-/m0/s1

InChI key

NJWSNNWLBMSXQR-QMMMGPOBSA-N

assay

≥98.0% (sum of enantiomers, GC)

optical activity

[α]20/D −14.5±1°, c = 2.5% in ethanol

optical purity

enantiomeric ratio: ≥98.5:1.5 (HPLC)

refractive index

n20/D 1.421

density

0.835 g/mL at 20 °C (lit.)

storage temp.

2-8°C

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

98.6 °F - closed cup

flash_point_c

37 °C - closed cup

ppe

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

Regulatory Information

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Kelli L Hvorecny et al.
Structure (London, England : 1993), 25(5), 697-707 (2017-04-11)
Pseudomonas aeruginosa secretes an epoxide hydrolase with catalytic activity that triggers degradation of the cystic fibrosis transmembrane conductance regulator (CFTR) and perturbs other host defense networks. Targets of this CFTR inhibitory factor (Cif) are largely unknown, but include an epoxy-fatty

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