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O5608

Sigma-Aldrich

Octanal

99%

Synonym(s):
Aldehyde C8, Octyl aldehyde, Caprylic aldehyde
Linear Formula:
CH3(CH2)6CHO
CAS Number:
Molecular Weight:
128.21
Beilstein:
1744086
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

vapor pressure

2 mmHg ( 20 °C)
2 mmHg ( 20 °C)
850 mmHg ( 25 °C)

assay

99%

refractive index

n20/D 1.421 (lit.)

bp

171 °C (lit.)

mp

12-15 °C (lit.)

density

0.82 g/mL at 25 °C (lit.)

SMILES string

[H]C(=O)CCCCCCC

InChI

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

InChI key

NUJGJRNETVAIRJ-UHFFFAOYSA-N

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Application

Octanal is an essential precursor in the total synthesis of (−)-dihydrosporothriolide, (+)-tetrahydropyrenophorol and (+)-awajanomycin. It can also be used in the synthesis of erythritol and pentaerythritol based hydrotropes.

Packaging

25, 100, 500 mL in glass bottle

Signal Word

Warning

Hazard Statements

Hazard Classifications

Aquatic Chronic 2 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

125.6 °F - closed cup

Flash Point(C)

52 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

Certificate of Origin

Roberto Romani et al.
Insects, 10(6) (2019-06-19)
Sitophilus zeamais (Motschulsky) is considered as one of the most destructive foodstuff pests. Due to their efficiency, low toxicity for mammalians and low environmental impact, plant-derived essential oils (EOs) are promising tools for pest control. In particular, the OEs extracted
An eco-compatible pathway to new hydrotropes from tetraols.
Herbinski A A, et al.
Green Chemistry (2018)
Asymmetric synthesis of the cytotoxic marine natural product (+)-awajanomycin and its C-11 epimer.
Fu R, et al.
The Journal of Organic Chemistry, 75(12), 4230-4243 (2010)
Total Synthesis of (?)-Dihydrosporothriolide Utilizing an Indium-Mediated Reformatsky?Claisen Rearrangement.
Ishihara J, et al.
The Journal of Organic Chemistry, 79(12), 5908-5913 (2014)
Asymmetric Catalytic Alkynylation of Acetaldehyde: Application to the Synthesis of (+)-Tetrahydropyrenophorol.
Trost BM and Quintard A.
Angewandte Chemie (International Edition in English), 51(27), 6704-6708 (2012)

Protocols

GC Analysis of Lemon Essential Oil on SLB®-5ms (10 m x 0.10 mm I.D., 0.10 µM), Fast GC Analysis

-3,7-Dimethyl-2,6-octadien-1-ol; Neral; Geraniol; Geranial; Undecanal; Citronellyl acetate; Neryl acetate; 3,7-Dimethyl-2,6-octadienyl acetate; 1-Tetradecene; Tetradecane; α-Bisabolol

GC Analysis of Sweet Orange Essential Oil on SLB®-5ms (10 m x 0.10 mm I.D., 0.10 µm), Fast GC Analysis

-β-Farnesene; α-Huµlene; Germacrene D; (+)-Valencene; Bicyclogermacrene; (+)-δ-Cadinene

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