2-苯甲基-1,3-二氧戊环-4-甲醇

Description

Phenylacetaldehyde glyceryl acetal is identified by CAS 5694-72-4, molecular formula C11H14O3 and molecular weight 194.09 g/mol. UNII BD92587FZX; ChEBI 173951; InChIKey ZPENOSKWEKGDCX-UHFFFAOYSA-N. Boiling Point: 358 °C; Density: 1.158-1.168; Refractive Index: 1.524-1.536.

Identification

CAS Registry Number	5694-72-4
PubChem CID	21895
Molecular formula	C11H14O3
Molecular weight	194.09 g/mol
IUPAC name	(2-benzyl-1,3-dioxolan-4-yl)methanol
InChIKey	ZPENOSKWEKGDCX-UHFFFAOYSA-N
UNII (FDA)	BD92587FZX
ChEBI ID	CHEBI:173951
FEMA number	2877
JECFA number	1004

Computed Descriptors

Molecular Weight	194.23
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	194.094294304
Monoisotopic Mass	194.094294304
Topological Polar Surface Area	38.7
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Boiling Point	358 °C
Density	1.158-1.168
Refractive Index	1.524-1.536

Physical description & handling notes

• Colourless viscous liquid; very faint, sweet-green rosy odour
• Insoluble in water; soluble in oils
• Miscible at room temperature (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	H302 (100%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 1 consumer products that contain Phenylacetaldehyde Glyceryl Cyclic Acetals in the following categories is provided:
• 1,3-Dioxolane-4-methanol, 2-(phenylmethyl)-: ACTIVE
• Benzeneacetaldehyde, cyclic acetal with 1,2,3-propanetriol: ACTIVE

Synonyms

5694-72-4; 1,3-Dioxolane-4-methanol, 2-(phenylmethyl)-; 4-Hydroxymethyl-2-benzyl-1,3-dioxolane; 1,3-DIOXOLANE-4-METHANOL, 2-BENZYL-; BD92587FZX; 2-(Phenylmethyl)-1,3-Dioxolane-4-methanol; DTXSID201014563; FEMA NO. 2877, 1,3-DIOXOLANE-; RefChem:1061982; DTXCID0030538; 227-164-8; Phenylacetaldehyde glyceryl acetal; (2-benzyl-1,3-dioxolan-4-yl)methanol; 29895-73-6; FEMA 2877; 2-Benzyl-1,3-dioxolan-4-ylmethanol

Frequently Asked Questions

What are the CAS number and molecular formula of Phenylacetaldehyde glyceryl acetal?

CAS 5694-72-4; molecular formula C11H14O3; molecular weight 194.09 g/mol.

What other names is Phenylacetaldehyde glyceryl acetal known by?

5694-72-4, 1,3-Dioxolane-4-methanol, 2-(phenylmethyl)-, 4-Hydroxymethyl-2-benzyl-1,3-dioxolane, 1,3-DIOXOLANE-4-METHANOL, 2-BENZYL-, BD92587FZX, 2-(Phenylmethyl)-1,3-Dioxolane-4-methanol.

What is the regulatory status of Phenylacetaldehyde glyceryl acetal?

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

Is Phenylacetaldehyde glyceryl acetal classified as hazardous?

Hazard statements reported: H302.

What are the key physical properties of Phenylacetaldehyde glyceryl acetal?

Boiling Point: 358 °C; Density: 1.158-1.168; Refractive Index: 1.524-1.536.

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.