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Kolophonium

Abietic Acid

HCID 10569
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Grundinformationen

CAS
15522-12-0
Standard-SMILES
CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1
InChIKey
RSWGJHLUYNHPMX-ONCXSQPRSA-N
Summenformel
C20H30O2
Durchschnittliche Molmasse
302,5 g/mol
Monoisotopische Masse
302,2245802

Überblick

Yellowish resinous powder. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
Abietic Acid
IUPAC
(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
Lokaler Name
Kolophonium
Englischer Name
Rosin
Summenformel
C19H29COOH
Molmasse
0

Namen und Synonyme

ABIETIC ACID514-10-3Sylvic acidl-Abietic acid7,13-Abietadien-18-oic acidKyselina abietova13-Isopropylpodocarpa-7,13-dien-15-oic acidV3DHX33184NSC-251491-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aR,4bR,10aR)-Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
Weitere Namen anzeigen
GUM ROSINHYDROGENATED ROSINdisproportionated rosinCOLOPHONYCOLOPHONIUMPOLYMERIZED ROSINRosin Estersrosin-colophonySTAYBELITE RESINBRAZILIAN GUM ROSIN
DTXSID7022047CHEBI:28987RefChem:5505DTXCID202047208-178-3AbietateRosin AcidMFCD03423567

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,8
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
22
Formalladung
0
Komplexität
542

Experimentelle und physikochemische Eigenschaften

Chemical ClassesBiological Agents -> Rosin and Derivatives
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]
CosmeticsEmulsion stabilizing
SpringerMaterials PropertiesCrystal structure
Boiling Point482 °F at 9 mmHg (NTP, 1992)
Melting Point343 to 345 °F (NTP, 1992)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description · 2 Einträge

Yellowish resinous powder. (NTP, 1992)

Yellow solid; [Hawley] Colorless crystalline solid; [MSDSonline]

Collision Cross Section182.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8042399]

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 60.6% (134 of 221) of all reports.

Warning

H315 (38.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 221 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aR,4bR,10aR)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationPEC / SN / Other assessments - Common skin sensitisers—hazard classification: Health
Fire HazardsCombustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: Slight fire hazard, slight explosive hazard as dust. Low toxicity. (NTP, 1992)
Hazards SummaryA skin and respiratory sensitizer; [CHEMINFO] An irritant; [MSDSonline] Danger of skin sensitization; [MAK] Abietic acid is the active allergen present in colophony. [Marks, p. 80] See Colophony.

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

Fibrinolysin or agents that convert plasminogen to FIBRINOLYSIN.

Substances that eliminate free radicals. Among other effects, they protect PANCREATIC ISLETS against damage by CYTOKINES and prevent myocardial and pulmonary REPERFUSION INJURY.

Verwendung und Herstellung

Uses · 2 Einträge

Used to make ester gums in lacquers, varnishes, and soaps; Also used in metal resinates, plastics, and paper sizes; [Merck Index]

Pulp and Paper Processing [Category: Industry]

Use ClassificationCosmetics -> Emulsion stabilizing
General Manufacturing Information1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aR,4bR,10aR)-: ACTIVE
Anwendungen · 1 Eintrag

VerwendenRosin is a yellow resin in the production of varnishes, printing inks, paper, soldering fluxes, greases, cutting fluids, glue tackifiers, adhesives, surface coatings, polish, insulations, waxes, cosmetics (mascara, rouge, eye shadow), topical medicaments, shoes, violin bow rosin, day, athletic grip aid, pine-oil cleansers; component in dental impression materials and periodontal packings.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

StarexOxalsäurePentaerythritol ester

Zugehörige Reaktionen

14
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 430723
HRID 430723als Produktuspto-grants-2001_11
Reaktionsgleichung von HRID 846536
HRID 846536als Eduktuspto-grants-1992_08
Reaktionsgleichung von HRID 866522
HRID 866522als Eduktuspto-grants-1978_07
Reaktionsgleichung von HRID 1070363
HRID 1070363als Eduktuspto-grants-2005_06
Reaktionsgleichung von HRID 1106206
HRID 1106206als Eduktuspto-grants-1982_01
Reaktionsgleichung von HRID 1392290
HRID 1392290als Eduktuspto-grants-2008_03
Reaktionsgleichung von HRID 1397645
HRID 1397645als Eduktuspto-grants-2014_12
Reaktionsgleichung von HRID 1744410
HRID 1744410als Eduktuspto-grants-2006_03
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Datenbank-Bezeichner

CAS
15522-12-0、514-10-3、8050-09-7
PubChem CID
10569
DTXSID
DTXSID7022047
ChEMBL
CHEMBL71893
ChEBI
CHEBI:28987
UNII
V3DHX33184
EC Number
208-178-3
Nikkaji
J10.135D

Physikochemische Eigenschaften

Schmelzpunkt
70 · 70-72°C
Dichte
1 · 1,07 g/cm3
Flammpunkt
180 °C · 180°C
storage temp.
Room Temperature
Löslichkeit
0.1 g/mL, · chloroform: 0.1 g/mL, clear, strongly yellow
Aggregatzustand
Powder/Solid
Farbe
Dark yellow
Wichte
1.07 · 1.07~1.08
Geruch (Odor)
100 % · at 100.00%. mild balsamic woody
Wasserlöslichkeit
Soluble in alcohol, benzene, ether. Insoluble in water
Merck
14 · 14,8266
Dielectric constant
2.5 · 2.5(Ambient)
Stabilität
Stable. Combustible. Incompatible with oxidizing agents.
Kosmetik-Inhaltsstoffe Funktionen
DEPILATORYFILM FORMINGBINDINGVISCOSITY CONTROLLING
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
SMILES
OC(=O)[C@]1([C@H]2[C@@]([C@H]3CCC(=CC3=CC2)C(C)C)(CCC1)C)C
LogP
13.11 · 13.110 (est)
CAS Datenbank
8050 · 8050-09-7
EPA chemische Informationen
Rosin (8050-09-7)
Reactive Group
Acids, Carboxylic
Reactivity Profile · 1 Eintrag

ABIETIC ACID reacts exothermically with bases, both organic (for example, the amines) and inorganic. Can react with active metals to form gaseous hydrogen and a metal salt. Such reactions are slow if the solid acid remains dry. Can react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slow for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.

Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and CategoriesSkin Irrit. 2 (38.9%)

Sicherheit und Schutzausrüstung

Fire FightingA fire in your laboratory involving this chemical should be extinguished with a dry chemical, carbon dioxide or halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter.

Toxikologische Informationen

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

Sicherheitsdaten

F
10-21
wgk
1
tsca
TSCA listed
hs_code
3806101000
RTECS-Nr.
VL0480000
risk_code
43
hazard_code
Xi
safety_code
24-37
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Skin Sens. 1
Terpentinöl (MIX)

Nachgelagerte Produkte

Various color alkyd ready mixed paintEmulsion oilAlkyd resin paintBariumbis[2-chlor-5-[(2-hydroxy-1-naphthyl)azo]toluol-4-sulfonat]Lithol Redneutral sizing agent CSGlycerol Ester of RosinAlkyd resin insulating paintHarzsuren und Kolophoniumsuren, hydriert, Ester mit GlycerinBooster fluxIron oxide red alkyd primerAlkyd resin varnishDefatted cottonRed lead alkyd antirust paintPhenolic resin paintAsphalt antifouling paint L40-32Ethylene-vinyl acetate copolymer latexPOLY(VINYL ACETATE)modified phenol-formaldehyde resinRosin pentaerythrityl esterOlibanum oilGlycerol ester of partially dimerized rosinIron oxide red phenolic antirust paintAsphalt ship bottom antifouling paintCalcium-3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)azo]-2-naphthoatSizing agent for paper makingSaponified soluble oilBoiled oil Y00-7PentaerythritolesterofwoodrosinBooster flux,nocleaningGlycerol ester of polymerized rosinRegenerated rubberMethylabietatRosin modified phenolic resin

Ergänzende Hinweise

DefinitionA brittle yellow or brown resin that remains after the distillation of turpentine. It is used as a flux in soldering and in making paints and varnishes. Powdered rosin gives a ‘grip’ to violin bows and boxers’ shoes.