Chamazulene

Chamazulene
Compound Structure:
Synonyms: Chamazulene;Chamazulen;7-Ethyl-1,4-dimethylazulene;529-05-5;Camazulene;Dimethulene;Dimethulen;1,4-Dimethyl-7-ethylazulene;Azulene, 7-ethyl-1,4-dimethyl-;BA 2784;7-ethyl-1,4-dimethyl-azulene
Compound ID: NMPC-741
PubChem ID:

10719
Molecular Formula: C14H16
Canonical SMILES: CCC1=CC2=C(C=CC2=C(C=C1)C)C
InChIKey: GXGJIOMUZAGVEH-UHFFFAOYSA-N
About the compound:

Chamazulene, an aromatic compound with the molecular formula C14H16, is found in several plants such as chamomile (Matricaria chamomilla), wormwood (Artemisia absinthium), and yarrow (Achillea millefolium). This compound is a blue-violet derivative of azulene, which itself is biosynthesized from the sesquiterpene matricin.

GHS Hazard Statements

• H412 (22.45%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

• H413 (77.55%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

184.28 g/mol

XLogP3-AA

4.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

1

Exact Mass

184.125200510 g/mol

Monoisotopic Mass

184.125200510 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

14

Formal Charge

0

Complexity

185

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Boiling Point

159.00 °C. @ 11.00 mm Hg

Melting Point

< 25 °C

Source: PubChem
Source Species: Centratherum punctatum
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