Chrysanthemic acid, cis-(-)-

HCID 20755CAS 15259-78-6

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Grundinformationen

Standard-SMILES: CC(C)=C[C@@H]1[C@H](C(=O)O)C1(C)C
InChIKey: XLOPRKKSAJMMEW-HTQZYQBOSA-N
Summenformel: C10H16O2
Durchschnittliche Molmasse: 168,23 g/mol
Monoisotopische Masse: 168,11502975

Namen und Bezeichner

Bevorzugter Name: Chrysanthemic acid, cis-(-)-
IUPAC: trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
Englischer Name: cis-chrysanthemic acid
Molmasse: 0

Namen und Synonyme

(-)-cis-Chrysanthemic acid26771-06-2Chrysanthemic acid, cis-(-)-TFK3B71TRYcis-(-)-chrysanthemic acid(-)-cis-Chrysanthemumsaeurecis-Chrysanthemum Monocarboxylic acidEINECS 247-994-4BRN 2326292(1S-cis)-2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acidCyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1S,3R)-Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1S,3R)-

Weitere Namen anzeigen

cis-chrysanthemic acidcis-Chrysanthemumic acidcis-Chrysanthemum-monocarboxylic acidrel-2α*-(2-Methyl-1-propenyl)-3,3-dimethylcyclopropane-1α*-carboxylic acidrel-(1R*)-2,2-Dimethyl-3β*-(2-methyl-1-propenyl)cyclopropane-1β*-carboxylic acid

CHEBI:39105DTXSID60885370(1S,3R)-2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acidCHRYSANTHEMIC ACID L-CIS-FORMCYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYLPROPENYL)-, (1S-cis)-RefChem:577059DTXCID901024753

Datenbank-Bezeichner

CAS: 15259-78-6、26771-06-2、2935-23-1
PubChem CID: 20755
DTXSID: DTXSID60885370
ChEBI: CHEBI:39105
UNII: TFK3B71TRY
EC Number: 220-908-2、247-994-4、633-864-8
Nikkaji: J232.118A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 234

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

risk_code: 22-36/37/38-42/43
hazard_code: Xn
safety_code: 26-36

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationCyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1S,3R)-: INACTIVE

Anwendungen

Verwendencis-Chrysanthemic Acid is an intermediate in synthesizing (+)-cis-Phenothrin (P318100), an isomer of Phenothrin (P318095), which is a pesticide used in the control of pests and insects.