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3,3-Dimethylphthalide

3,3-Dimethylphthalide structure

CAS No:
1689-09-4
Formula:
C10H10O2
Chemical Name:
3,3-Dimethylphthalide
Synonyms:
1(3H)-Isobenzofuranone,3,3-dimethyl-;Phthalide,3,3-dimethyl-;3,3-Dimethyl-1(3H)-isobenzofuranone;3,3-Dimethylphthalide;NSC 5114;3,3-Dimethyl-2-benzofuran-1(3H)-one;3,3-Dimethyl-2-benzofuran-1-one;3,3-Dimethyl-1,3-dihydro-2-benzofuran-1-one

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3,3-Dimethylphthalide Basic Attributes

Molecular Weight：

162.18 g/mol

Exact Mass：

162.19

EC Number：

216-878-5

NSC Number：

5114

DSSTox ID：

DTXSID40168618

Characteristics

PSA：

26.3 Å²

XLogP3：

1.73 (LogP)

Melting Point：

68 °C

Boiling Point：

96-97 °C @ Press: 0.1 Torr

Water Solubility：

0.01 M

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:162.18
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Exact Mass:162.068079557
Monoisotopic Mass:162.068079557
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: lithium sulfate; mg phosphate; 1-pentanol; sodium diacetate; phosphorus pentoxide; 2-bromopropane

Guide of 3,3-Dimethylphthalide

Basic Attributes
Characteristics
Safety Information
Computed Properties

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