1740-19-8
Product Name:
Dehydroabietic acid
Formula:
C20H28O2
Synonyms:
Abieta-8,11,13-trien-18-oic acid;Dehydroabietate
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Dry Powder; Other Solid |
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Chemical Classes | other linear non-peptide (Diterpenoid) |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 Environment GHS09 |
GHS Hazard Statements |
H301:Acute toxicity,oral H410:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
Molecular Weight | 300.4 g/mol |
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XLogP3 | 5.6 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 2 |
Exact Mass | 300.208930132 g/mol |
Monoisotopic Mass | 300.208930132 g/mol |
Topological Polar Surface Area | 37.3 Ų |
Heavy Atom Count | 22 |
Formal Charge | 0 |
Complexity | 443 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 3 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Dehydroabietic acid is an abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group. It has a role as a metabolite and an allergen. It is an abietane diterpenoid, a monocarboxylic acid and a carbotricyclic compound. It is functionally related to an abietic acid. It is a conjugate acid of a dehydroabietate.