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rel-(3aR,7aS)-3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione

rel-(3aR,7aS)-3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione structure

CAS No:
1694-82-2
Formula:
C9H10O3
Chemical Name:
rel-(3aR,7aS)-3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione
Synonyms:
1,3-Isobenzofurandione,3a,4,7,7a-tetrahydro-5-methyl-,(3aR,7aS)-rel-;4-Cyclohexene-1,2-dicarboxylic anhydride,4-methyl-,cis-;1,3-Isobenzofurandione,3a,4,7,7a-tetrahydro-5-methyl-,cis-;rel-(3aR,7aS)-3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione;cis-4-Methyl-1,2,3,6-tetrahydrophthalic anhydride;4-Methyl-cis-4-cyclohexene-1,2-dicarboxylic anhydride;4-Methyl-cis-4-cyclohexene-1,2-decarboxylic anhydride;cis-1,2,3,6-Tetrahydro-4-methylphthalic acid anhydride;135184-96-2

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rel-(3aR,7aS)-3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione Basic Attributes

Molecular Weight：

166.1739

Exact Mass：

166.17

EC Number：

216-906-6

Characteristics

PSA：

43.37000

XLogP3：

1.04230

Density：

1'+-.0.06 g/cm3(Predicted)

Melting Point：

64-65 °C

Boiling Point：

308.9±42.0 °C(Predicted)

Flash Point：

146.8ºC

Refractive Index：

1.517

Vapor Pressure：

0.001mmHg at 25°C

Safety Information

GHS Classification：

|Danger|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P285, P302+P352, P304+P341, P305+P351+P338, P310, P321, P333+P313, P342+P311, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

rel-(3aR,7aS)-3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione Use and Manufacturing

cis-4-Methyl-1,2-3,6-tetrahydrophthalic Anhydride is a potential antigen in animals.

Computed Properties

Molecular Weight:166.17
XLogP3:0.7
Hydrogen Bond Acceptor Count:3
Exact Mass:166.062994177
Monoisotopic Mass:166.062994177
Topological Polar Surface Area:43.4
Heavy Atom Count:12
Complexity:278
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of rel-(3aR,7aS)-3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

rel-(3aR,7aS)-3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione

SDS

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