Basic information
- CAS
1740-19-8- Standard SMILES
CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C- InChIKey
NFWKVWVWBFBAOV-MISYRCLQSA-N- Molecular formula
- C20H28O2
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.20893013
Names & identifiers
- Preferred name
- Dehydroabietic Acid
- IUPAC
- (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
- English name
- Dehydroabietic acid
- Molecular formula
- C20H28O2
- Molecular weight
- 300.44
Names & synonyms
DEHYDROABIETIC ACID1740-19-8Abieta-8,11,13-trien-18-oic acidAbietic acid, dehydro-(-)-Dehydroabietic acid(+)-Dehydroabietic acid1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-13-Isopropylpodocarpa-8,11,13-trien-15-oic acid0S5XP6S3AUCHEBI:29571Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-NSC-2952
Show more names
DehydroabieticDehydroabietate(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid[1R-(1α,4aehydroabieticacidehydro-abieticaciehydroabietlc acid
Isopropyl podocarpa-8,11,13-trien-15-oic acidDTXSID8022163(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid(1R-(1alpha,4Abeta,10aalpha))-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acidRefChem:131448DTXCID402163217-102-8NSC 2952
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
Experimental & physicochemical properties
Physical DescriptionOther Solid; CBI
Physicochemical properties
- Melting point
- 174 · 174-176℃
- Boiling point
- 394.13 °C · 394.13°C (rough estimate)
- Density
- 1.058 · 1.058
- refractive index
- 1.5404 · 1.5404 (estimate)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 10 mg/ml
- form
- A solid
- pka
- 4.66 · 4.66±0.40(Predicted)
- color
- White to yellow
- Major Application
- metabolomicsvitamins, nutraceuticals, and natural products
- Cosmetics Ingredients Functions
- ANTIOXIDANT
- InChI
- InChI=1S/C20H28O2/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/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 28.1% (195 of 694) of reports.
Warning
H302 (65.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 694 reports by companies from 8 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 195 of 694 reports by companies.；There are 7 notifications provided by 499 of 694 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hazard Classes and CategoriesAcute Tox. 4 (65.9%)
Regulatory information
Regulatory Information
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 75,000 - <500,000 lb；2022: 75,000 - <500,000 lb；2021: 75,000 - <500,000 lb；2020: 75,000 - <500,000 lb
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing；Printing Ink Manufacturing
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-: ACTIVE
Applications
UsesDehydroabietic 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.
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
Related reactions
3 records
Compound notes
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