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Merck

O5608

Octanal

99%

Synonym(s):

Aldehyde C8, Caprylic aldehyde, Octyl aldehyde

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About This Item

Linear Formula:
CH3(CH2)6CHO
CAS Number:
124-13-0
Molecular Weight:
128.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24898024
EC Number:
204-683-8
Beilstein/REAXYS Number:
1744086
MDL number:
MFCD00007029
Assay:
99%

Key Documents

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InChI key

NUJGJRNETVAIRJ-UHFFFAOYSA-N

InChI

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

SMILES string

[H]C(=O)CCCCCCC

Quality Level

100

vapor pressure

850 mmHg ( 25 °C)

assay

99%

refractive index

n20/D 1.421 (lit.)

bp

171 °C (lit.)

mp

12-15 °C (lit.)

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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.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Storage Class

3 - Flammable liquids

flash_point_f

125.6 °F - closed cup

flash_point_c

52 °C - closed cup

ppe

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

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - Skin Sens. 1B

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Certificates of Analysis (COA)

Lot/Batch Number
SHBS9610
SHBR6066
SHBQ7455
SHBP3075
SHBQ0907

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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 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)
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 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)
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