Introduction:Basic information about CAS 514-10-3|abietic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | abietic acid |
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| CAS Number | 514-10-3 | Molecular Weight | 302.451 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 439.5±44.0 °C at 760 mmHg |
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| Molecular Formula | C20H30O2 | Melting Point | 139-142 °C(lit.) |
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| MSDS | / | Flash Point | 208.1±23.1 °C |
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Names
| Name | abietic acid |
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| Synonym | More Synonyms |
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abietic acid BiologicalActivity
| Description | Abietic acid, a diterpene isolated from Pimenta racemosa var. grissea, possesses antiproliferative, antibacterial, and anti-obesity properties. Abietic acid inhibits lipoxygenase activity for allergy treatment[1][2]. |
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| Related Catalog | Research Areas >>CancerResearch Areas >>InfectionSignaling Pathways >>Others >>OthersResearch Areas >>Inflammation/ImmunologyResearch Areas >>Metabolic Disease |
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| References | [1]. Ulusu NN, et al. Abietic acid inhibits lipoxygenase activity. Phytother Res. 2002 Feb;16(1):88-90. [2]. Fernández MA, et al. Anti-inflammatory activity of abietic acid, a diterpene isolated from Pimenta racemosa var. grissea. J Pharm Pharmacol. 2001 Jun;53(6):867-72. |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 439.5±44.0 °C at 760 mmHg |
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| Melting Point | 139-142 °C(lit.) |
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| Molecular Formula | C20H30O2 |
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| Molecular Weight | 302.451 |
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| Flash Point | 208.1±23.1 °C |
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| Exact Mass | 302.224579 |
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| PSA | 37.30000 |
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| LogP | 6.51 |
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| Vapour Pressure | 0.0±2.3 mmHg at 25°C |
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| Index of Refraction | 1.542 |
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| InChIKey | RSWGJHLUYNHPMX-ONCXSQPRSA-N |
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| SMILES | CC(C)C1=CC2=CCC3C(C)(C(=O)O)CCCC3(C)C2CC1 |
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| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TP8580000
- CHEMICAL NAME :
- Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-
- CAS REGISTRY NUMBER :
- 514-10-3
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C20-H30-O2
- MOLECULAR WEIGHT :
- 302.50
- WISWESSER LINE NOTATION :
- L B666 EU GUTJ A1 EY1&1 KVQ K1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02819 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2302 No. of Facilities: 5012 (estimated) No. of Industries: 34 No. of Occupations: 47 No. of Employees: 31118 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2302 No. of Facilities: 171 (estimated) No. of Industries: 5 No. of Occupations: 11 No. of Employees: 3942 (estimated) No. of Female Employees: 646 (estimated)
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Safety Information
| Hazard Codes | Xi:Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| RIDADR | UN 3077 9/PG 3 |
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| WGK Germany | 3 |
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| RTECS | TP8580000 |
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| Hazard Class | 9.0 |
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| HS Code | 2916209090 |
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Customs
| HS Code | 2916209090 |
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| Summary | 2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| Abietic acid |
| EINECS 208-178-3 |
| 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid |
| 7,13-Abietadien-18-oic acid |
| 1,1-Dimethyl-7-isopropyl-1,2,3,4-tetrahydro-phenanthren |
| Sylvic Acid |
| abieta-7,13-diene-18-oic acid |
| MFCD03423567 |
| simonellite |
| abieta-7,13-dien-18-oic acid |
| 7-Isopropyl-1,1-dimethyl-1,2,3,4-tetrahydro-phenanthren |
| 7-isopropyl-1,1-dimethyl-1,2,3,4-tetrahydro-phenanthrene |