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O5608

Octanal

Name: Octanal
Brand: ALDRICH

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%

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Properties

Quality Level

100

vapor pressure

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

Description

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.

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pictograms

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

hcodes

H226,H315,H317,H319

pcodes

P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338

Hazard Classifications

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

Regulatory Information

危险化学品

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Protocols

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

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)

An eco-compatible pathway to new hydrotropes from tetraols.

Herbinski A A, et al.

Green Chemistry (2018)

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Global Trade Item Number

SKU	GTIN
O5608-100ML	04061834248033
O5608-500ML	04061834248057
O5608-25ML	04061834248040