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W419501

Sigma-Aldrich

Phthalide

98%

Synonym(s):

1-Isobenzofuranone

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About This Item

Empirical Formula (Hill Notation):
C8H6O2
CAS Number:
87-41-2
Molecular Weight:
134.13
FEMA Number:
4195
Beilstein:
114632
EC Number:
201-744-0
MDL number:
MFCD00005906
UNSPSC Code:
12164502
PubChem Substance ID:
329830681
Flavis number:
10.056

biological source

synthetic

Assay

98%

bp

290 °C (lit.)

mp

71-74 °C (lit.)

application(s)

flavors and fragrances

Organoleptic

coconut

SMILES string

O=C1OCc2ccccc12

InChI

1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2

InChI key

WNZQDUSMALZDQF-UHFFFAOYSA-N

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Storage Class Code

13 - Non Combustible Solids

WGK

WGK 1

Flash Point(F)

305.6 °F - closed cup

Flash Point(C)

152 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

W419501-1KG:
W419501-BULK:
W419501-5KG:
W419501-SAMPLE:
W419501-VAR:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Juan Mangas-Sánchez et al.
Organic letters, 14(6), 1444-1447 (2012-03-08)
A straightforward synthesis of (S)-3-methylphthalides has been developed, with the key asymmetric step being the bioreduction of 2-acetylbenzonitriles. Enzymatic processes have been found to be highly dependent on the pH value, with acidic conditions being required to avoid undesired side
Tsz-Ying Yuen et al.
Organic letters, 14(19), 5154-5157 (2012-09-29)
A highly convergent total synthesis of 7',8'-dihydroaigialospirol is described. Key steps of the synthesis include a Nozaki-Hiyama-Kishi (NHK) coupling of an iodoalkyne with an advanced phthalide-aldehyde and a remarkable one-pot acid-mediated global deprotection/spiroacetalization.
Jaganathan Karthikeyan et al.
Chemical communications (Cambridge, England), 47(37), 10461-10463 (2011-08-19)
A cobalt-catalyzed addition of aryl- and alkenylboronic acids to aldehydes and phthalaldehyde to give the corresponding biarylketones and 3-aryl phthalides in good to excellent yields in one pot is described.
Zhishi Ye et al.
The Journal of organic chemistry, 75(17), 6043-6045 (2010-08-28)
A palladium-catalyzed addition of arylboronic acids to phthalaldehyde, followed by an intramolecular lactonization to access 3-substituted phthalides, is described. The procedure tolerates a series of functional groups, such as methoxyl, fluoro, chloro, and trifluoromethyl groups. It represents a procedure for
Jie Luo et al.
Chemical communications (Cambridge, England), 48(39), 4707-4709 (2012-04-11)
The first Mannich reaction employing phthalides using a quinidine-based multifunctional catalyst has been developed. The reported method led to the synthesis of 3,3-disubstituted phthalide derivatives in excellent yields, with good diastereo- and enantioselectivities. Convenient synthesis of chiral isoquinolinones and isoquinolines
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