Abietic acid

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For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1562

CAS

514-10-3

Product Name

Abietic acid

Structure

Product Details

Description

Abietic acid isolated from the herbs of Pinus massoniana.

Synonyms

(1R,4AR,4BR,10AR)-7-ISOPROPYL-1,4A-DIMETHYL-1,2,3,4,4A,4B,5,6,10,10A-DECAHYDRO-PHENANTHRENE-1-CARBOXYLIC ACID;

IUPAC Name

(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid

Molecular Weight

302.45

Molecular Formula

C20H30O2

Canonical SMILES

CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C

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

InChIKey

RSWGJHLUYNHPMX-ONCXSQPRSA-N

Boiling Point

440 °C

Melting Point

139-142 °C (lit.)
150-165 °C

Flash Point

208 °C

Purity

0.95

Density

1.1±0.1 g/cm3

Solubility

Soluble in alcohols, acetone and ethers

Appearance

Powder

Application

anti-inflammation;

Storage

2-8°C

Alpha

D24 -106° (c = 1 in abs alc)

BRN

2221451

Chemical Properties

yellow resinous powder, crystals or chunks

Color

Yellow-brownish

Definition

ChEBI: An abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18.

EINECS

208-178-3

10-23

Form

Powder

Hazard Class

Xi,N

Hazard Codes

HS Code

29162090

Packing Groups

III

pKa

pK1:7.62 (25°C)

Purification Methods

Filter, dry it in a vacuum (over KOH or CaSO4) and store it in an O2-free atmosphere. It can also be purified via the anhydride, tritylabietate and the potassium, piperidine and brucine salts.

Refractive Index

1.4800 (estimate)

RIDADR

UN 3077 9/PG 3

Risk Statements

36/37/38-50-50/53

RTECS

TP8580000

Safety Statements

26-36

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Toxicity

LD50 ivn-mus: 180 mg/kg

Uses

Abietic Acid is the primary component of resin acid found commonly in rosin. Abietic Acid exhibited potent testosterone 5α-reductase inhibitory activity in vitro.

Water Solubility

Soluble in acetone, petroleum ether, diethyl ether and ethanol. Insoluble in water.

WGK Germany

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