Phthalide

Phthalide
  • CAS No.:87-41-2
Other grades of this product :
Phthalide Basic information
Product Name:Phthalide
Synonyms:3H-2-Benzofuran-1-one;1,3-Dihydroisobenzofuran-1-one;Isobenzofuran-1(3H)-one;Phthalanone;Phthalide,1-Isobenzofuranone;Phthalide, 99% 5GR;PHTHALIDE FOR SYNTHESIS 100 G;PHTHALIDE FOR SYNTHESIS 250 G
CAS:87-41-2
MF:C8H6O2
MW:134.13
EINECS:417-930-1
Product Categories:Building Blocks;Carbonyl Compounds;Chemical Synthesis;Lactones;Organic Building Blocks;bc0001;87-41-2
Mol File:87-41-2.mol
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
Fp 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
Water Solubility sparingly soluble
BRN 114632
InChIKeyWNZQDUSMALZDQF-UHFFFAOYSA-N
CAS DataBase Reference87-41-2(CAS DataBase Reference)
NIST Chemistry Reference1(3H)-Isobenzofuranone(87-41-2)
EPA Substance Registry SystemPhthalide (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 Information
ProviderLanguage
Phthalide English
SigmaAldrich English
ACROS English
ALFA English
Phthalide Usage And Synthesis
DescriptionWhite powder; sweet tonka, coumarin, powdery, coconut, phenolic, lactonic aroma.
UsesPhthalide may be used in scaffolds for the design of high potency monoamine oxidase (MAO) inhibitors.
DefinitionChEBI: 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 valuesLow strength odor, Tonka type.
Taste threshold valuesSweet coumarin, coconut, creamy, anisic, green vegetable, floral taste at 100 ppm in water.
Synthesis Reference(s)Chemistry Letters, 23, p. 1149, 1994The Journal of Organic Chemistry, 68, p. 9423, 2003 DOI: 10.1021/jo0350763Tetrahedron Letters, 7, p. 6097, 1966
Flammability and ExplosibilityNotclassified
PharmacologySystemic fungicide giving effective preventive control of the rice blast fungus in rice as foliar spray.
Purification MethodsCrystallise phthalide from water (75mL/g) and dry it in air on filter paper. [Beilstein 17/10 V 7.]
Toxicity evaluationMammalian 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.

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