异戊醛丙二醇缩醛

Description

2-Isobutyl-4-methyl-1,3-dioxolane (Isovaleraldehyde propylene glycol acetal) is identified by CAS 18433-93-7, molecular formula C8H16O2 and molecular weight 144.12 g/mol. UNII TUG3U82JZS; ChEBI 179940; InChIKey PDVLTWPJDBXATJ-UHFFFAOYSA-N. Boiling Point: 164-165 °C; Density: 0.895-0.902; Refractive Index: 1.412-1.420.

Identification

CAS Registry Number	18433-93-7
PubChem CID	86733
Molecular formula	C8H16O2
Molecular weight	144.12 g/mol
IUPAC name	4-methyl-2-(2-methylpropyl)-1,3-dioxolane
InChIKey	PDVLTWPJDBXATJ-UHFFFAOYSA-N
UNII (FDA)	TUG3U82JZS
ChEBI ID	CHEBI:179940
FEMA number	4286
JECFA number	1732

Computed Descriptors

Molecular Weight	144.21
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	144.115029749
Monoisotopic Mass	144.115029749
Topological Polar Surface Area	18.5
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	164-165 °C
Density	0.895-0.902
Refractive Index	1.412-1.420

Physical description & handling notes

• Clear, colourless liquid; Fruity, slightly fatty aroma
• Insoluble in water; soluble in organic solvents
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H226 (100%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• 1,3-Dioxolane, 4-methyl-2-(2-methylpropyl)-: ACTIVE

Synonyms

2-Isobutyl-4-methyl-1,3-dioxolane; 1,3-Dioxolane, 4-methyl-2-(2-methylpropyl)-; Isovaleraldehyde propylene glycol acetal; UNII-TUG3U82JZS; EINECS 242-309-5; TUG3U82JZS; DTXSID50864836; Isovaleraldehyde propyleneglycol acetal; 1,3-Dioxolane, 2-isobutyl-4-methyl-; RefChem:87702; FEMA NO. 4286; DTXCID50214478; (+-)-2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE; 3-METHYLBUTYRALDEHYDE PROPYLENE GLYCOL ACETAL; 2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE, (+-)-; CIS-AND TRANS-2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE

Frequently Asked Questions

What are the CAS number and molecular formula of 2-Isobutyl-4-methyl-1,3-dioxolane (Isovaleraldehyde propylene glycol acetal)?

CAS 18433-93-7; molecular formula C8H16O2; molecular weight 144.12 g/mol.

What other names is 2-Isobutyl-4-methyl-1,3-dioxolane (Isovaleraldehyde propylene glycol acetal) known by?

2-Isobutyl-4-methyl-1,3-dioxolane, 1,3-Dioxolane, 4-methyl-2-(2-methylpropyl)-, Isovaleraldehyde propylene glycol acetal, UNII-TUG3U82JZS, EINECS 242-309-5, TUG3U82JZS.

What is the regulatory status of 2-Isobutyl-4-methyl-1,3-dioxolane (Isovaleraldehyde propylene glycol acetal)?

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

Is 2-Isobutyl-4-methyl-1,3-dioxolane (Isovaleraldehyde propylene glycol acetal) classified as hazardous?

Hazard statements reported: H226.

What are the key physical properties of 2-Isobutyl-4-methyl-1,3-dioxolane (Isovaleraldehyde propylene glycol acetal)?

Boiling Point: 164-165 °C; Density: 0.895-0.902; Refractive Index: 1.412-1.420.

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.