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Apiole

Apiole structure

CAS No:
523-80-8
Formula:
C12H14O4
Chemical Name:
Apiole
Synonyms:
1,3-Benzodioxole,4,7-dimethoxy-5-(2-propen-1-yl)-;Apiole;Benzene,1-allyl-2,5-dimethoxy-3,4-(methylenedioxy)-;1,3-Benzodioxole,4,7-dimethoxy-5-(2-propenyl)-;4,7-Dimethoxy-5-(2-propen-1-yl)-1,3-benzodioxole;1-Allyl-2,5-dimethoxy-3,4-methylenedioxybenzene;Parsley camphor;Apiol;Parsley apiole;1,2-Methylenedioxy-3,6-dimethoxy-4-allylbenzene;Apioline;5-Allyl-4,7-dimethoxy-1,3-benzodioxole;Petersilienapiol;NSC 9070;4,7-Dimethoxy-5-(2-propenyl)-1,3-benzodioxole;83382-66-5
Categories:
Biochemical Engineering > Plant Extracts

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Description

Solid

Solid|Colourless to yellow or light green liquid; Slight parsley like aroma

Apiole is a member of benzodioxoles. It has a role as a metabolite.

Apiole Basic Attributes

Molecular Weight：

222.24

Exact Mass：

222.24

EC Number：

208-349-2

UNII：

QQ67504PXO

NSC Number：

9070

DSSTox ID：

DTXSID4041236

HScode：

2932999099

Characteristics

PSA：

36.9

XLogP3：

2.16100

Appearance：

Solid

Density：

1.176 g/cm³ @ Temp: 14 °C

Melting Point：

29.5 °C

Boiling Point：

294 °C

Flash Point：

117.2ºC

Refractive Index：

1.53

Water Solubility：

Insoluble in water; soluble in ether, acetone and glacial acetic acid

Toxicity：

Subcutaneous-mouse LDL0: 1000mg/kg

Flammability characteristics：

Flammable; burning produces irritating fumes

Collision Cross Section：

146.1 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food materials

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

1-allyl-2,5-dimethoxy-3,4-methylenedioxybenzene

Apiole Use and Manufacturing

Uses

Apioline is extracted from essential oil from the roots of Illicium Ianceolatum and is known to exhibit antinociceptive and anti-inflammatory properties.

Manufacturing Info：

1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propen-1-yl)-: ACTIVE

Use Classification：

Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:222.24
XLogP3:2.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:222.08920892
Monoisotopic Mass:222.08920892
Topological Polar Surface Area:36.9
Heavy Atom Count:16
Complexity:243
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Apiole

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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4,7-DIMETHOXY-5-(2-PROPANYL)-1,3-BENZODIOXOLE

CAS No.: 523-80-8

Content: 99.00%

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Guide of Apiole

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

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