CAS 523-80-8|Apiole (parsley)

Introduction:Basic information about CAS 523-80-8|Apiole (parsley), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameApiole (parsley)
CAS Number523-80-8Molecular Weight222.24
Density1.151g/cm3Boiling Point294ºC
Molecular FormulaC12H14O4Melting Point29ºC
MSDS/Flash Point117.2ºC

Names

Name4,7-dimethoxy-5-prop-2-enyl-1,3-benzodioxole
SynonymMore Synonyms

Apiole (parsley) BiologicalActivity

DescriptionApiole 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 CatalogSignaling 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

Density1.151g/cm3
Boiling Point294ºC
Melting Point29ºC
Molecular FormulaC12H14O4
Molecular Weight222.24
Flash Point117.2ºC
Exact Mass222.08900
PSA36.92000
LogP2.16100
Index of Refraction1.53
InChIKeyQQRSPHJOOXUALR-UHFFFAOYSA-N
SMILESC=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 DATA

ACUTE 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 Phrases36/37/38
Safety Phrases26-36/37/39
HS Code2932999099

Customs

HS Code2932999099
Summary2932999099. 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
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