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Octylaldehyde

CAS 124-13-0C8H16OMW 128.12 g/mol

Octylaldehyde (CAS 124-13-0) — formula C8H16O, molecular weight 128.12 g/mol.

Product Overview

CAS Number124-13-0
Molecular FormulaC8H16O
Molecular Weight128.12 g/mol
Melting Point-23 °C
Boiling Point171 °C
LogP2.7

Technical Profile

What this product is

Octylaldehyde is a chemical compound with CAS registry number 124-13-0 and molecular formula C8H16O (molecular weight 128.12 g/mol).

Identification

CAS number: 124-13-0

Its molecular formula C8H16O comprises 8 C, 16 H, 1 O atoms.

Also known as: Octylaldehyde · Octanal · antifoam · C8 Aldehyde

Frequently Asked Questions

What is the CAS number of Octylaldehyde?

The CAS registry number of Octylaldehyde is 124-13-0.

What is the molecular formula and molecular weight of Octylaldehyde?

Molecular formula C8H16O, molecular weight 128.12 g/mol.

What other names is Octylaldehyde known by?

It is also registered under: Octylaldehyde, Octanal, antifoam, C8 Aldehyde.

PubChem Public Data

Independent reference data for Octylaldehyde (CAS 124-13-0), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number124-13-0
PubChem CID454
Molecular formulaC8H16O
Molecular weight128.12 g/mol
IUPAC nameoctanal
InChIKeyNUJGJRNETVAIRJ-UHFFFAOYSA-N
UNII (FDA)XGE9999H19
ChEBI IDCHEBI:17935
JECFA number98

Computed descriptors

Molecular Weight128.21
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass128.120115130
Monoisotopic Mass128.120115130
Topological Polar Surface Area17.1
Heavy Atom Count9

Physicochemical values on record

Boiling Point171 °C
Boiling Point163.4 °C @760 [mm Hg]
Melting Point-23 °C
Flash Point125 °F (USCG, 1999)
Flash Point125 °F (52 °C)
SolubilityIn water, 5.6X10+2 mg/L at 25 °C
SolubilityIn water, <0.01 wt% at 20 °C
Solubility0.56 mg/mL
Density0.82 to 0.83 (USCG, 1999)
Density0.8211 g/cu cm at 20 °C

Documented uses on record

    Found in rose and orange oils; Used in perfumes, flavors, and fragrances; Used to make linear alcohols; [HSDB]Octanal is employed in the perfume industry for the preparation of synthetic citrus oils and for the synthesis of alpha-hexylcinnamaldehyde.

    Synonyms and trade names

    Octanal; 124-13-0; Caprylaldehyde; Caprylic aldehyde; n-Octanal; 1-octanal; n-Octyl aldehyde; n-Caprylaldehyde; n-Octaldehyde; Octanaldehyde; n-Octylal; Aldehyde C-8; Octanoic aldehyde; Octaldehyde; C-8 aldehyde; OCTYLALDEHYDE

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    JECFA ADI: 0-0.1 mg/kg bw (1984)
    No safety concern at current levels of intake when used as a flavouring agent; secondary components do not rai
    GHS notification summary0.1% (1 / 1971)

    GHS hazard classification

    GHS notification summary0.1% (1 / 1971)
    Reported hazard statementsH226 (93.3%), H315 (97.4%), H319 (97.3%), H411 (77.1%), H412 (19.8%), H401

    This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1971) of reports.

    H226 (93.3%): Flammable liquid and vapor [Warning Flammable liquids]

    What the public record says

    Octylaldehyde is identified by CAS 124-13-0, molecular formula C8H16O and molecular weight 128.12 g/mol. UNII XGE9999H19; ChEBI 17935; InChIKey NUJGJRNETVAIRJ-UHFFFAOYSA-N. Boiling Point: 171 °C; Boiling Point: 163.4 °C @760 [mm Hg]; Melting Point: -23 °C.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

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