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Abietic acid Structure

Abietic acid

Chemical Properties

Melting point 139-142 °C (lit.) 150-165 °C
alpha  D24 -106° (c = 1 in abs alc)
Boiling point 440℃
Density  1.06
refractive index  1.4800 (estimate)
Flash point 208℃
storage temp.  2-8°C
solubility  Soluble in alcohols, acetone and ethers
pka pK1:7.62 (25°C)
form  Crystals and Chunks
color  Yellow-brownish
Odor at 100.00%. mild acetic
optical activity [α]20/D 85±10°, c = 1% in ethanol
Water Solubility  Soluble in acetone, petroleum ether, diethyl ether and ethanol. Insoluble in water.
Sensitive  Air Sensitive
Merck  14,7
BRN  2221451
Henry's Law Constant 1.5×105 mol/(m3Pa) at 25℃, Yaws (2003)
Exposure limits NIOSH: TWA 0.1 mg/m3
Stability Stable. Combustible. Incompatible with strong oxidizing agents.
Cosmetics Ingredients Functions SURFACTANT - EMULSIFYING
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
InChIKey RSWGJHLUYNHPMX-ONCXSQPRSA-N
SMILES CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
LogP 6.460
CAS DataBase Reference 514-10-3(CAS DataBase Reference)
EPA Substance Registry System Abietic acid (514-10-3)

Safety Information

Hazard Codes  Xi,N
Risk Statements  36/37/38-50-50/53
Safety Statements  26-36
RIDADR  UN 3077 9/PG 3
WGK Germany  3
RTECS  TP8580000
F  10-23
TSCA  TSCA listed
HazardClass  9
PackingGroup  III
HS Code  29162090
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Toxicity LD50 ivn-mus: 180 mg/kg

MSDS

Usage And Synthesis

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