Introduction:Basic information about CAS 523-80-8|Apiole (parsley), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Apiole (parsley) |
|---|
| CAS Number | 523-80-8 | Molecular Weight | 222.24 |
|---|
| Density | 1.151g/cm3 | Boiling Point | 294ºC |
|---|
| Molecular Formula | C12H14O4 | Melting Point | 29ºC |
|---|
| MSDS | / | Flash Point | 117.2ºC |
|---|
Names
| Name | 4,7-dimethoxy-5-prop-2-enyl-1,3-benzodioxole |
|---|
| Synonym | More Synonyms |
|---|
Apiole (parsley) BiologicalActivity
| Description | Apiole is an anti-tumor agent that induces apoptosis and inhibits human colon cancer cells by inducing G0/G1 cell cycle arrest. Apiole also significantly inhibited colon tumor development in an in vivo mouse xenograft model[1][2]. |
|---|
| Related Catalog | Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>Cancer |
|---|
| References | [1]. Wu KH, et al. Study of the antitumor mechanisms of apiole derivatives (AP-02) from Petroselinum crispum through induction of G0/G1 phase cell cycle arrest in human COLO 205 cancer cells. BMC Complement Altern Med. 2019 Jul 27;19(1):188. [2]. Wei PL, et al. The in vivo antitumor effects on human COLO 205 cancer cells of the 4,7-dimethoxy-5-(2-propen-1-yl)-1,3-benzodioxole (apiole) derivative of 5-substituted 4,7-dimethoxy-5-methyl-l,3-benzodioxole (SY-1) isolated from the fruiting body of Antrodia camphorate. J Cancer Res Ther. 2012 Oct-Dec;8(4):532-6. |
|---|
Chemical & Physical Properties
| Density | 1.151g/cm3 |
|---|
| Boiling Point | 294ºC |
|---|
| Melting Point | 29ºC |
|---|
| Molecular Formula | C12H14O4 |
|---|
| Molecular Weight | 222.24 |
|---|
| Flash Point | 117.2ºC |
|---|
| Exact Mass | 222.08900 |
|---|
| PSA | 36.92000 |
|---|
| LogP | 2.16100 |
|---|
| Index of Refraction | 1.53 |
|---|
| InChIKey | QQRSPHJOOXUALR-UHFFFAOYSA-N |
|---|
| SMILES | C=CCc1cc(OC)c2c(c1OC)OCO2 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CY2500000
- CHEMICAL NAME :
- Benzene, 1-allyl-2,5-dimethoxy-3,4-(methylenedioxy)-
- CAS REGISTRY NUMBER :
- 523-80-8
- BEILSTEIN REFERENCE NO. :
- 0195747
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C12-H14-O4
- MOLECULAR WEIGHT :
- 222.26
- WISWESSER LINE NOTATION :
- T56 BO DO CHJ FO1 H2U1 IO1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 1515 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - other changes
MUTATION DATA - TEST SYSTEM :
- Rodent - mouse
- DOSE/DURATION :
- 400 mg/kg
- REFERENCE :
- CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 5,1613,1984
|
Safety Information
| Risk Phrases | 36/37/38 |
|---|
| Safety Phrases | 26-36/37/39 |
|---|
| HS Code | 2932999099 |
|---|
Customs
| HS Code | 2932999099 |
|---|
| Summary | 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|---|
Synonyms
| Apiole (parsley) |
| Apiol |
| 1-allyl-2,5-dimethoxy-3,4-methylenedioxybenzene |
| Petersiliencampher |
| 3,6-dimethoxy-4,5-methylenedioxy-allylbenzene |
| 1-allyl-3,4-methylenedioxy-2,5-dimethoxybenzene |
| Apiole |
| Apioline |
| 5-Allyl-4,7-dimethoxy-1,3-benzodioxole |
| Parsley apiol |
| 1,3-Benzodioxole,4,7-dimethoxy-5-(2-propenyl) |
| Parsley apiole |
| Parsley camphor |