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Merck
CN

45366

Sigma-Aldrich

(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
Beilstein:
79914
MDL number:
MFCD00270134
UNSPSC Code:
12352005
PubChem Substance ID:
57650311

Key Documents

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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

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

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H315,H319,H335

Precautionary Statements

P261 - P305 + P351 + P338

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

98.6 °F - closed cup

Flash Point(C)

37 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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