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Abietic acid information


Abietic acid
Names
IUPAC name
Abieta-7,13-dien-18-oic acid
Systematic IUPAC name
(1R,4aR,4bR,10aR)-1,4a-Dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid
Other names
Abietinic acid; Sylvic acid
Identifiers
CAS Number
  • 514-10-3 checkY
3D model (JSmol)
  • Interactive image
ChEBI
  • CHEBI:28987 checkY
ChEMBL
  • ChEMBL71893 checkY
ChemSpider
  • 10127 checkY
ECHA InfoCard 100.007.436 Edit this at Wikidata
EC Number
  • 208-173-3
KEGG
  • C06087 checkY
PubChem CID
  • 10569
RTECS number
  • TP8580000
UNII
  • V3DHX33184 checkY
CompTox Dashboard (EPA)
  • DTXSID7022047 Edit this at Wikidata
InChI
  • InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1 checkY
    Key: RSWGJHLUYNHPMX-ONCXSQPRSA-N checkY
  • InChI=1/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
    Key: RSWGJHLUYNHPMX-ONCXSQPRBK
SMILES
  • O=C(O)[C@]3([C@@H]2C/C=C1/C=C(\CC[C@@H]1[C@@]2(C)CCC3)C(C)C)C
Properties
Chemical formula
 C20H30O2
Molar mass 302.458 g·mol−1
Appearance Yellow resinous powder, crystals or chunks. Monoclinic plates (from EtOH/water). Colorless solid when pure.
Density 1.06 g/mL
Melting point 172–175 °C (342–347 °F; 445–448 K)[2]
Boiling point 250 °C; 482 °F; 523 K
Solubility in water
 Insoluble[2]
Solubility in other solvents Very soluble in acetone, petroleum ether, Et2O, and ethanol
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
 Irritant
GHS labelling:
Pictograms
 GHS07: Exclamation mark
Signal word
 Warning
Hazard statements
 H317
Precautionary statements
 P261, P272, P280, P302+P352, P321, P333+P313, P363, P501
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineFlammability 0: Will not burn. E.g. waterInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
1
0
0
Safety data sheet (SDS) MSDS
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
checkY verify (what is checkY☒N ?)
Infobox references

Abietic acid (also known as abietinic acid or sylvic acid) is a mild organic acid found in coniferous trees.

It is a commercially important component of paints, soaps, foods, and soldering flux, and is the primary component of resin acid.

  1. ^ National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina
  2. ^ a b Merck Index, 12th Edition, 3. Abietic Acid

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Abietic acid

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Resin

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Pimaric acid

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Plicatic acid

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