Beta-Asarone
beta-asarone.png

Beta-asarone is a propenylbenzene found in Acorus calamus and related herbs. It's an isomer of alpha-asarone in which the tail is bent inward towards the benzene ring.

The aldehyde form of beta-asarone is Cis-2,4,5-Trimethoxycinnamaldehyde.


Chemical Properties

Melting Point: 57-61 ° C; 62-63 ° C @ 760 mmHg. This information needs further verification. This information is suspected of being incorrect because calamus oil high in beta-asarone does not crystallize on standing at room temperature. Many sources confuse alpha-asarone for beta-asarone. Alpha-asarone is a solid at room temperature. One source states that beta-asrone is a colorless to pale yellow clear liquid, indicating that the melting point is far below room temperature (21 C).
Boiling Point: 296 °C at 760 mmHg. A few sources state 264-267 ° C @ 760 mmHg; This information needs further verification.
PubChem Compound ID: 5281758
Molecular Weight: 208.25364 [g/mol]
Molecular Formula: C12H16O3
XLogP3: 3
H-Bond Donor: 0
H-Bond Acceptor: 3
IUPAC Name: 1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene
InChI: InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,
1-4H3/b6-5-
InChIKey: RKFAZBXYICVSKP-WAYWQWQTSA-N
Canonical SMILES: CC=CC1=CC(=C(C=C1OC)OC)OC
Isomeric SMILES: C/C=C\C1=CC(=C(C=C1OC)OC)OC


Bibliography
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