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2(4H)-Benzofuranone,5,6,7,7A-tetrahydro-4,4,7A-trimethyl-,(S)-

2(4H)-Benzofuranone,5,6,7,7A-tetrahydro-4,4,7A-trimethyl-,(S)- structure

CAS No:
81800-41-1
Formula:
C11H16O2
Chemical Name:
2(4H)-Benzofuranone,5,6,7,7A-tetrahydro-4,4,7A-trimethyl-,(S)-
Synonyms:
(7aS)-4,4,7a-trimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-one;2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (7aS)-

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Description

Clear, colourless liquid; musky or coumarin-like aroma

2(4H)-Benzofuranone,5,6,7,7A-tetrahydro-4,4,7A-trimethyl-,(S)- Basic Attributes

Molecular Weight：

180.24

Exact Mass：

180.115029749 g/mol

UNII：

M2C1JT71RC

Characteristics

PSA：

26.3 Å²

Density：

1.05±0.1 g/cm3

Melting Point：

67-68°

Boiling Point：

296.1±9.0 °C(Predicted)

Refractive Index：

1.499-1.505

Water Solubility：

Insoluble in water; soluble in nonpolar solvents|soluble (in ethanol)

Safety Information

GHS Classification：

|Danger|H300 (99.28%): Fatal if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 138 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

dihydroactinidiolide

2(4H)-Benzofuranone,5,6,7,7A-tetrahydro-4,4,7A-trimethyl-,(S)- Use and Manufacturing

Uses

Flavor ingredient; inhibitor of seed germination.

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:180.24
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Exact Mass:180.115029749
Monoisotopic Mass:180.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:289
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2(4H)-Benzofuranone,5,6,7,7A-tetrahydro-4,4,7A-trimethyl-,(S)-

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties

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