3,4-(亚甲二氧基)苯甲醇

Description

3,4-(Methylenedioxy)benzyl alcohol · CAS 495-76-1 · C8H8O3. UNII 4163K563GS. Boiling Point: BP: 157 °C at 16 mm Hg; Melting Point: 58 °C; Vapor Pressure: 0.000254 [mmHg].

Identification

CAS Registry Number	495-76-1
PubChem CID	10322
Molecular formula	C8H8O3
IUPAC name	1,3-benzodioxol-5-ylmethanol
UNII (FDA)	4163K563GS

Computed Descriptors

Molecular Weight	152.15
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	152.047344113
Monoisotopic Mass	152.047344113
Topological Polar Surface Area	38.7
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	BP: 157 °C at 16 mm Hg
Melting Point	58 °C
Vapor Pressure	0.000254 [mmHg]
LogP	log Kow = 1.05
LogP	1.05

Physical description & handling notes

• Yellow powder; [Alfa Aesar MSDS]
• Needles from petroleum ether
• White to yellow powder, crystals or chunks
• Slightly soluble in water
• Soluble in ethanol, ethyl ether, benzene, chloroform, methanol; insoluble in ligroin
• Stable under recommended storage conditions.

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances Flavoring Agents
GHS notification summary	97.8% (91 / 93)

GHS Hazard Classification

GHS notification summary	97.8% (91 / 93)

Documented Uses

• The results indicate that two benzodioxole derivatives, piperonyl alcohol (PAL) and benzodioxole (BDO), are viable alternatives to conventional amines as coinitiator. The biocompatibility of benzodioxole derivatives makes them more promising than amine in dental resin formulations.
• 1,3-Benzodioxole-5-methanol: ACTIVE
• After oral administration of piperine (170 mg/kg) to rats, the metabolites in bile and urine were examined by thin-layer chromatography, high-performance liquid chromatography and combined gas chromatography-mass spectrometry. Four metabolites of piperine, viz. piperonylic acid, piperonyl alcohol, piperonal and vanillic acid were identified in the free form in 0-96 hr urine whereas only piperic acid was detected in 0-6 hr bile. ...
• The neolignan, burchellin, a natural compound that reduces urine excretion in larvae of the bloodsucking bug, Rhodnius prolixus, a vector of Chagas' disease, is rapidly degraded in the hemolymph of the insect. The main product that accumulates in this tissue has been shown to be piperonyl alcohol. Other catabolites have been identified by GC-MS analysis.

Synonyms

Piperonyl alcohol; 495-76-1; Piperonol; 1,3-BENZODIOXOLE-5-METHANOL; 3,4-Methylenedioxybenzyl alcohol; 5-Hydroxymethyl-1,3-benzodioxole; Heliotropyl alcohol; 1-Hydroxymethyl-3,4-methylenedioxybenzene; Benzyl alcohol, 3,4-(methylenedioxy)-; DTXSID3060089; NSC-26265; 4163K563GS; RefChem:863613; DTXCID3040693; 207-808-4; 1,3-Benzodioxol-5-ylmethanol

Frequently Asked Questions

What are the CAS number and molecular formula of 3,4-(Methylenedioxy)benzyl alcohol?

CAS 495-76-1; molecular formula C8H8O3; molecular weight — g/mol.

What other names is 3,4-(Methylenedioxy)benzyl alcohol known by?

Piperonyl alcohol, 495-76-1, Piperonol, 1,3-BENZODIOXOLE-5-METHANOL, 3,4-Methylenedioxybenzyl alcohol, 5-Hydroxymethyl-1,3-benzodioxole.

What is the regulatory status of 3,4-(Methylenedioxy)benzyl alcohol?

Documented regulatory listings: EU Flavoring substances; Flavoring Agents.

Is 3,4-(Methylenedioxy)benzyl alcohol classified as hazardous?

97.8% of GHS notifications report no hazard classification (91 of 93).

What are the key physical properties of 3,4-(Methylenedioxy)benzyl alcohol?

Boiling Point: BP: 157 °C at 16 mm Hg; Melting Point: 58 °C; Vapor Pressure: 0.000254 [mmHg]; LogP: log Kow = 1.05.

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.