辛醛

Description

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.

Identification

CAS Registry Number	124-13-0
PubChem CID	454
Molecular formula	C8H16O
Molecular weight	128.12 g/mol
IUPAC name	octanal
InChIKey	NUJGJRNETVAIRJ-UHFFFAOYSA-N
UNII (FDA)	XGE9999H19
ChEBI ID	CHEBI:17935
JECFA number	98

Computed Descriptors

Molecular Weight	128.21
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	128.120115130
Monoisotopic Mass	128.120115130
Topological Polar Surface Area	17.1
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	171 °C
Boiling Point	163.4 °C @760 [mm Hg]
Melting Point	-23 °C
Flash Point	125 °F (USCG, 1999)
Flash Point	125 °F (52 °C)
Solubility	In water, 5.6X10+2 mg/L at 25 °C
Solubility	In water, <0.01 wt% at 20 °C
Solubility	0.56 mg/mL
Density	0.82 to 0.83 (USCG, 1999)
Density	0.8211 g/cu cm at 20 °C

Physical description & handling notes

• N-octylaldehyde is a colorless liquids with a strong fruity odor. Less dense than water and insoluble in water. Flash points 125 °F. Used in making perfumes and flavorings.
• Liquid
• Colorless liquid with a fruity odor; [Hawley]
• colourless to light yellow liquid/fatty-orange odour
• Colorless liquid
• Colorless to light yellow liquid

Regulatory Status

Regulatory & Food Contact	EU 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 summary	0.1% (1 / 1971)

GHS Hazard Classification

GHS notification summary	0.1% (1 / 1971)
Reported hazard statements	H226 (93.3%), H315 (97.4%), H319 (97.3%), H411 (77.1%), H412 (19.8%), H401

Documented Uses

• 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.
• ingredient in some air fresheners
• For more Uses (Complete) data for Octylaldehyde (6 total), please visit the HSDB record page.
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of Octylaldehyde?

CAS 124-13-0; molecular formula C8H16O; molecular weight 128.12 g/mol.

What other names is Octylaldehyde known by?

Octanal, 124-13-0, Caprylaldehyde, Caprylic aldehyde, n-Octanal, 1-octanal.

What is the regulatory status of Octylaldehyde?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Octylaldehyde classified as hazardous?

0.1% of GHS notifications report no hazard classification (1 of 1971).

What are the key physical properties of Octylaldehyde?

Boiling Point: 171 °C; Boiling Point: 163.4 °C @760 [mm Hg]; Melting Point: -23 °C; Flash Point: 125 °F (USCG, 1999).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.