1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrencarbonsäure, (1R-(1 alpha, 4a beta, 10a alpha))-

Dehydroabietic Acid

HCID 94391CAS 1740-19-8
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C
InChIKey
NFWKVWVWBFBAOV-MISYRCLQSA-N
Summenformel
C20H28O2
Durchschnittliche Molmasse
300,4 g/mol
Monoisotopische Masse
300,20893013

Namen und Bezeichner

Bevorzugter Name
Dehydroabietic Acid
IUPAC
(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Lokaler Name
1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrencarbonsäure, (1R-(1 alpha, 4a beta, 10a alpha))-
Englischer Name
Dehydroabietic acid
Summenformel
C20H28O2
Molmasse
300.44

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

CAS
1740-19-8
PubChem CID
94391
DTXSID
DTXSID8022163
ChEMBL
CHEMBL12850
ChEBI
CHEBI:29571
UNII
0S5XP6S3AU
EC Number
217-102-8
Nikkaji
J12.735C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,6
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
22

Experimentelle und physikochemische Eigenschaften

Physical DescriptionOther Solid; CBI

Physikochemische Eigenschaften

Schmelzpunkt
174 · 174-176℃
Siedepunkt
394.13 °C · 394.13°C (rough estimate)
Dichte
1.058 · 1.058
Brechungsindex
1.5404 · 1.5404 (estimate)
storage temp.
-20 °C · Sealed in dry,Store in freezer, under -20°C
Löslichkeit
30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 10 mg/ml

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

Regulatory Information · 1 Eintrag

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%)

Regulatorische Informationen

Regulatory Information · 1 Eintrag

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)

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
UN 2811 6.1 / PGIII
hs_code
29161900
risk_code
25-50
hazard_code
T,N

Chemie und Industrie

Verwendung und Herstellung

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 · 2 Einträge

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

Anwendungen · 1 Eintrag

VerwendenDehydroabietic 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.

Anbieter50 Anbieter

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]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: Dehydroabietic acid is an abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group. It has a role as a metabolite and an allergen. It is an abietane diterpenoid, a monocarboxylic acid and a carbotricyclic compound. It derives from an abietic acid. It is a conjugate acid of a dehydroabietate.

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