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Dehydroabietic acid

Dehydroabietic acid structure

CAS No:
1740-19-8
Formula:
C20H28O2
Chemical Name:
Dehydroabietic acid
Synonyms:
1-Phenanthrenecarboxylic acid,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-,(1R,4aS,10aR)-;Abietic acid,dehydro-;Podocarpa-8,11,13-trien-15-oic acid,13-isopropyl-;1-Phenanthrenecarboxylic acid,1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-,[1R-(1α,4aβ,10aα)]-;(1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid;Dehydroabietic acid;Abieta-8,11,13-trien-18-oic acid;(+)-Dehydroabietic acid;NSC 2952;Resigral 52;7-Callitrisic acid;135577-73-0;2501-27-1;35949-24-7
Categories:
Natural Products > Terpenes

Description

White SolidChEBI: An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group.

Dehydroabietic Acid is a resin acid found commonly in rosin. Dehydroabietic Acid is used in rosin-type nucleating agent for polypropylene (PP). Dehydroabietic Acid is used commonly in the synthesis of surfactants, antioxidants and chiral catalysts.

DryPowder, Liquid; Liquid

Dehydroabietic acid Basic Attributes

Molecular Weight：

300.44

Exact Mass：

300.44

EC Number：

217-102-8

NSC Number：

59954

DSSTox ID：

DTXSID8022163|DTXSID40427737

HScode：

29161900

Characteristics

PSA：

37.30000

XLogP3：

6.35

Density：

1.058

Melting Point：

166-167 °C

Boiling Point：

394.13°C (rough estimate)

Flash Point：

202.5±20.3 °C

Refractive Index：

1.5404 (estimate)

Water Solubility：

2.20e-05 M

Storage Conditions：

-20°C

Vapor Pressure：

5.53E-08mmHg at 25°C

Safety Information

Transport codes：

UN 2811 6.1 / PGIII

wgk germany：

hazard class code：

25-50

safety instructions：

45-61

Marks：

T,N

Precautionary statement(s)：

P273-P301 + P310-P501

Hazard Statements：

H301-H410

GHS Classification：

|Warning|H302 (91.95%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 706 companies from 6 notifications to the ECHA C&L Inventory.

Toxicity

Bioconcentration：

131.83

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Oral	Rodent - rat	1710 mg/kg	Autonomic Nervous System--other (direct) parasympathomimetic Behavioral--ataxia	Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 18,42,1977
ACUTE TOXICITY DATA	TDLo - Lowest published toxic dose	Oral	Rodent - rat	8400 mg/kg/28D-C	Blood--changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical-Enzyme inhibition, induction, or change in blood or tissue levels-hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.) Biochemical-Metabolism (Intermediary)-Plasma proteins not involving coagulation	Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 18,42,1977

Dehydroabietic acid Use and Manufacturing

Uses

Pigments

Agricultural products (non-pesticidal)

Manufacturing Info：

Paint and coating manufacturing|1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-: ACTIVE

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Method	Comments	Reference
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	DB-1	2380.	temperature ramp	30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min	Johnson, C.I.Urso, A.Geleta, L.Broad spectrum analysis of municipal and industrial effluents discharged into the Peace, Athabasca and Slave river basins: characterization of effluent samples, 1994 - Volume 1 of 2Northern River Basins Study Project Report No. 121, Norther River Basins Study, Edmonton, Alberta, 1997, 27.
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	RTX-5 MS	2457.	custom temperature program	15. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (6 min) 5 0C/min -> 150 0C 10 0C/min -> 280 0C (3 min)	Nadaf, M.Halimi, M.Mortazavi, M.Identification of nonpolar chemical composition Spartium junceum flower growing in Iran by GC-MSMiddle-East J. Sci. Res.2012, 11, 2, 221-224.
Van Den Dool and Kratz RI, non-polar column, temperature ramp	Capillary	DB-1	399.9	temperature ramp	30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min	Johnson, C.I.Urso, A.Geleta, L.Broad spectrum analysis of municipal and industrial effluents discharged into the Peace, Athabasca and Slave river basins: characterization of effluent samples, 1994 - Volume 1 of 2Northern River Basins Study Project Report No. 121, Norther River Basins Study, Edmonton, Alberta, 1997, 27.

Computed Properties

Molecular Weight:300.4
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:300.208930132
Monoisotopic Mass:300.208930132
Topological Polar Surface Area:37.3
Heavy Atom Count:22
Complexity:443
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

3484-53-5

29461-23-2

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Abieta-8,11,13-trien-18-oic acid

CAS No.: 1740-19-8

Content: 99.00%

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Guide of Dehydroabietic acid

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Analysis Methods
Computed Properties
Synthesis Route
Recommended Suppliers
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Dehydroabietic acid

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