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Phthalide

Phthalide structure

CAS No:
87-41-2
Formula:
C8H6O2
Chemical Name:
Phthalide
Synonyms:
1(3H)-Isobenzofuranone;Phthalide;1-Phthalanone;2-Hydroxymethylbenzoic acid γ-lactone;Phthalolactone;NSC 1469;3H-Isobenzofuran-1-one;2-Benzofuran-1(3H)-one;1,3-Dihydro-2-benzofuran-1-one;1135443-46-7
Categories:
Agrochemicals > Fungicides

Description

White powder; sweet tonka, coumarin, powdery, coconut, phenolic, lactonic aroma. WHITE TO LIGHT BEIGE CRYSTALLINE POWDER

Solid

2-benzofuran-1(3H)-one is a gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group. It is a gamma-lactone and a member of 2-benzofurans.

Phthalide Basic Attributes

Molecular Weight：

134.13

Exact Mass：

134.13

BRN：

114632

EC Number：

201-744-0

UNII：

8VV922U86J

NSC Number：

1469

DSSTox ID：

DTXSID0052594

HScode：

29322980

Characteristics

PSA：

26.3

XLogP3：

0.8

Appearance：

White to light beige Crystalline Powder

Density：

1.1636 g/cm³ @ Temp: 99.1 °C

Melting Point：

75 °C

Boiling Point：

290 °C

Flash Point：

152 °C

Refractive Index：

1.5302 (99.1ºC)

Water Solubility：

H2O: sparingly soluble

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.00 mmHg

Safety Information

wgk germany：

hazard class code：

36-36/37/38

safety instructions：

26-36-24/25-37/39

RTECS Number：

TI3520000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264, P280, P305+P351+P338, P33, P313

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 315 companies from 3 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

phthalide

Phthalide Use and Manufacturing

Methods of Manufacturing

The preparation method is to use phthalimide in a sodium hydroxide solution with a small amount of copper activated zinc powder to carry out a reduction reaction, and the product is obtained at a reaction temperature of 8°C.

Uses

Used as an intermediate in organic synthesis, for the synthesis of doxepin drugs and dye reduction brown BR, etc.

Manufacturing Info：

1(3H)-Isobenzofuranone: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:134.13
XLogP3:0.8
Hydrogen Bond Acceptor Count:2
Exact Mass:134.036779430
Monoisotopic Mass:134.036779430
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Zinc acetate dihydrate

Copper sulfate

o-Xylene

Downstream Products

Phthalic anhydride

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