Phthalide Chemical Properties

Melting point:

71-74 °C (lit.)

Boiling point:

290 °C (lit.)

Density 

1.1

refractive index 

1.5360 (estimate)

FEMA 

4195 | PHTHALIDE

Flash point:

152 °C

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Crystalline Powder

color 

White to light beige

Odor

at 100.00 %. sweet tonka coumarin powdery coconut phenolic lactonic

Odor Type

coumarinic

Water Solubility 

sparingly soluble

BRN 

114632

Dielectric constant

36.0

Dielectric constant

36.0（23℃）

InChIKey

WNZQDUSMALZDQF-UHFFFAOYSA-N

LogP

0.99

CAS DataBase Reference

87-41-2(CAS DataBase Reference)

NIST Chemistry Reference

1(3H)-Isobenzofuranone(87-41-2)

EPA Substance Registry System

Phthalide (87-41-2)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36-36/37/38

Safety Statements 

26-36-24/25-37/39

WGK Germany 

3

RTECS 

TI3520000

TSCA 

Yes

HS Code 

29322980

MSDS

• Language:English Provider:Phthalide
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Phthalide Usage And Synthesis

Description

White powder; sweet tonka, coumarin, powdery, coconut, phenolic, lactonic aroma.

Uses

Phthalide may be used in scaffolds for the design of high potency monoamine oxidase (MAO) inhibitors.

Definition

ChEBI: A gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group.

Aroma threshold values

Low strength odor, Tonka type.

Taste threshold values

Sweet coumarin, coconut, creamy, anisic, green vegetable, floral taste at 100 ppm in water.

Synthesis Reference(s)

Chemistry Letters, 23, p. 1149, 1994
The Journal of Organic Chemistry, 68, p. 9423, 2003 DOI: 10.1021/jo0350763
Tetrahedron Letters, 7, p. 6097, 1966

Flammability and Explosibility

Not classified

Pharmacology

Systemic fungicide giving effective preventive control of the rice blast fungus in rice as foliar spray.

Purification Methods

Crystallise phthalide from water (75mL/g) and dry it in air on filter paper. [Beilstein 17/10 V 7.]

Toxicity evaluation

Mammalian toxicology. Oral: Acute oral LD₅₀ for rats and mice >10000 mg/kg. Skin and eye: Acute percutaneous LD₅₀ for rats and mice >10000 mg/kg. Not a shaved skin irritant, eye irritant (rabbits). Inhalation LC50 (4 h) for rats >4.1 mg/L air. NOEL: (2 yr) for rats 2000, mice 100 mg/kg diet.

Phthalide(87-41-2)Related Product Information

• 3-(Trifluoromethyl)benzoic acid
• p-Toluic acid
• Methyl 4-methylbenzoate
• Methyl 4-(bromomethyl)benzoate
• m-Toluic acid
• o-Toluic acid
• ISOCHROMAN-4-ONE
• IsochroMan-4-ol
• 3,4-DIHYDRO-1H-ISOCHROMEN-3-OL
• 1H-2-Benzopyran-6-ol, 3,4-dihydro- (9CI)
• (+)-Bicuculline
• Pyromellitic Dianhydride
• ERYTHROSIN B
• 5(6)-Aminofluorescein
• Fluorescein diacetate
• 6-Aminofluorescein
• Fluorescein isothiocyanate
• Anthranilic acid