2,2,3,3-Tetramethylcyclopropanecarboxylic acid

HCID 152115CAS 15641-58-4
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Grundinformationen

Standard-SMILES
CC1(C)C(C(=O)O)C1(C)C
InChIKey
SFHVXKNMCGSLAR-UHFFFAOYSA-N
Summenformel
C8H14O2
Durchschnittliche Molmasse
142,2 g/mol
Monoisotopische Masse
142,09937969

Namen und Bezeichner

Bevorzugter Name
2,2,3,3-Tetramethylcyclopropanecarboxylic acid
IUPAC
2,2,3,3-tetramethylcyclopropane-1-carboxylic acid
Englischer Name
2,2,3,3-TETRAMETHYLCYCLOPROPANECARBOXYLIC ACID
Summenformel
C8H14O2
Molmasse
142.2

Namen und Synonyme

2,2,3,3-Tetramethylcyclopropanecarboxylic acid15641-58-4CHEBI:39355DTXSID30166082RefChem:80829DTXCID2088573tetramethylcyclopropane-1-carboxylic acid2,2,3,3-tetramethylcyclopropane-1-carboxylic acidCyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-MFCD000115382,2,3,3-Tetramethylcyclopropane-1-carboxylic Acid; 2,2,3,3-Tetramethylcyclopropylcarboxylic Acid2,2,3,3-Tetramethylcyclopropanecarboxylicacid
Weitere Namen anzeigen
Chrysanthemic acidChrysanthemum Acid2,2,3,3 - Tetramethyl Cyclopropane - Carboxylic Acid (Tmpa)Fenpropathric acid3-Carboxy-1,1,2,2-tetramethylcyclopropane2,2,3,3-Tetramethylcyclopropylcarboxylic acid2，2，3，3-tetramethylcyclopropan carboxylic acid
SCHEMBL221717SBB053469AKOS005073492AC-4440MS-5005MSK168667-100MBP-12722SY003993

Datenbank-Bezeichner

CAS
15641-58-4
PubChem CID
152115
DTXSID
DTXSID30166082
ChEBI
CHEBI:39355
EC Number
627-306-2
Nikkaji
J23.498B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,9
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
120 · 120-121 °C(lit.)
Siedepunkt
204.8 · 204.8±8.0 °C(Predicted)
Dichte
0.999 · 0.999±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand
Oil

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

Sicherheitsdaten

wgk
3
hs_code
29162090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
hazard_class
IRRITANT

Chemie und Industrie

Anwendungen

Verwenden2,2,3,3-Tetramethylcyclopropanecarboxylic Acid is the cyclic analogue of the antiepileptic drug, Valproic Acid (V094750). 2,2,3,3-Tetramethylcyclopropanecarboxylic Acid is the starting material used in the synthesis of CNS-active compounds.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A monocarboxylic acid consisting of cyclopropanecarboxylic acid having four methyl substituents.

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