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Phthalide

CAS 87-41-2C8H6O2MW 134.13

Phthalide (CAS 87-41-2) — formula C8H6O2, molecular weight 134.13; category organic chemicals.

Product Description

Phthalide (CAS 87-41-2) is a chemical raw material in the organic chemicals category. Its molecular formula C8H6O2 comprises 8 C, 6 H, 2 O atoms. Its molecular weight is about 134.13. Reported physicochemical data: melting point around 75 °C, LogP about 0.80. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.

Product Overview

CAS Number87-41-2
Molecular FormulaC8H6O2
Molecular Weight134.13
Melting Point75 °C
LogP0.80
Applicationsfragrances, Used as a flavoring agent, Used as an intermediate, Fragrance Ingredients, 1(3H)-Isobenzofuranone: ACTIVE
CategoryOrganic Chemicals

Applications

Documented applications: fragrances, Used as a flavoring agent, Used as an intermediate, Fragrance Ingredients, 1(3H)-Isobenzofuranone: ACTIVE.

Technical Profile

What this product is

Phthalide is a carbon-based organic compound with CAS registry number 87-41-2 and molecular formula C8H6O2 (molecular weight 134.13), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 87-41-2

Its molecular formula C8H6O2 comprises 8 C, 6 H, 2 O atoms.

Also known as: Phthalide · 苯酞

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Phthalide?

The CAS registry number of Phthalide is 87-41-2.

What is the molecular formula and molecular weight of Phthalide?

Molecular formula C8H6O2, molecular weight 134.13.

What other names is Phthalide known by?

It is also registered under: Phthalide, 苯酞.

What are the documented applications of Phthalide?

Recorded applications: fragrances, Used as a flavoring agent, Used as an intermediate, Fragrance Ingredients, 1(3H)-Isobenzofuranone: ACTIVE.

Which category does Phthalide belong to?

Category: Organic Chemicals.

Packaging & documentation

Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.

PubChem Public Data

Independent reference data for Phthalide (CAS 87-41-2), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number87-41-2
PubChem CID6885
Molecular formulaC8H6O2
IUPAC name3H-2-benzofuran-1-one
UNII (FDA)8VV922U86J
FEMA number4195

Computed descriptors

Molecular Weight134.13
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass134.036779430
Monoisotopic Mass134.036779430
Topological Polar Surface Area26.3
Heavy Atom Count10

Physicochemical values on record

Melting Point75 °C
LogP0.80
LogP0.8

Documented uses on record

  • Used in fragrances; [REPROTOX] Used as a flavoring agent; [FDA] Used as an intermediate; [ECHA REACH Registrations]

Synonyms and trade names

PHTHALIDE; 87-41-2; 1(3H)-Isobenzofuranone; 1-Phthalanone; 2-Benzofuran-1(3H)-one; Phthalolactone; 3H-2-benzofuran-1-one; 3H-isobenzofuran-1-one; 1,3-dihydro-2-benzofuran-1-one; DTXSID0052594; 2-Hydroxymethylbenzoic acid, gamma-lactone; DTXCID7031167; CHEBI:38085; 8VV922U86J; NSC-1469; FEMA NO. 4195

Regulatory listings held on file

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
GHS notification summary58.9% (179 / 304)

GHS hazard classification

GHS notification summary58.9% (179 / 304)
Reported hazard statementsH319 (41.1%)

This chemical does not meet GHS hazard criteria for 58.9% (179 of 304) of all reports.

H319 (41.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

What the public record says

Phthalide · CAS 87-41-2 · C8H6O2. UNII 8VV922U86J. Melting Point: 75 °C; LogP: 0.80; LogP: 0.8.

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

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