(1R-trans)-2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropancarbonsure
chrysanthemic acid d-trans-form
Grundinformationen
- CAS
4638-92-0- Standard-SMILES
CC(C)=C[C@@H]1[C@@H](C(=O)O)C1(C)C- InChIKey
XLOPRKKSAJMMEW-SFYZADRCSA-N- Summenformel
- C10H16O2
- Durchschnittliche Molmasse
- 168,23 g/mol
- Monoisotopische Masse
- 168,11502975
Überblick
(+)-trans-chrysanthemic acid is a trans-chrysanthemic acid in which both stereocentres have R configuration. It is functionally related to a (R,R)-chrysanthemal. It is a conjugate acid of a (R,R)-chrysanthemate. It is an enantiomer of a (-)-trans-chrysanthemic acid.
Namen und Bezeichner
- Bevorzugter Name
- chrysanthemic acid d-trans-form
- IUPAC
- cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
- Lokaler Name
- (1R-trans)-2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropancarbonsure
- Englischer Name
- trans-(+)-Chrysanthemic acid
- Summenformel
- C10H16O2
- Molmasse
- 168.23
Namen und Synonyme
(+)-trans-Chrysanthemic acidTRANS-(+)-CHRYSANTHEMIC ACIDTrans-chrysanthemic acidChrysanthemic acid d-trans-form(1R-trans)-Chrysanthemic acid(1R,3R)-chrysanthemic acid23FP207VLYEINECS 225-067-5(R,R)-chrysanthemic acidBRN 2043419(1R-trans)-2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid
Weitere Namen anzeigen
ChrysantheMic Acid Chloride2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylic acidd-trans-Formrans-Chrysanthemicaci(1r-trans)-chrysanthemicacidtrans-(+)-Chrysanthemic acid, 99+%(1R-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanec...2,2-dimethyl-3-(2-methyl-1-propenyl)-cyclopropanecarboxylicaci(1r-trans
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R,3R)-(+)-trans-ChrysanthemumsaeureCHEBI:39100DTXSID101033188(+)-(1R,3R)-2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acidCyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R-trans)-CHRYSANTHEMIC ACID, TRANS-(+)-CHRYSANTHEMIC ACID D-TRANS-FORM [MI]
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 234
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physikochemische Eigenschaften
- Schmelzpunkt
- 17 °C · 17 °C (63 °F; 290 K) (1R,3R) or (+)-trans
- Siedepunkt
- 255.81 °C · 255.81°C (rough estimate)
- Dichte
- 0.9934 · 0.9934 (rough estimate)
- Brechungsindex
- 20 · n 20/D 1.477
- Flammpunkt
- Not applicable
- storage temp.
- 0 · 0-6°C
- Aggregatzustand
- Liquid
- pka
- 4.9 · 4.90±0.33(Predicted)
- Farbe
- Clear colorless to yellow
- BRN
- 4904351 · 4904351
- InChI
- 1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8+/m1/s1
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
This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.
Warning
H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)
Sicherheitsdaten
- F
- 10-23
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2916209090
- RTECS-Nr.
- GZ1280000
- risk_code
- 36/38
- hazard_code
- Xi
- safety_code
- 26
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationCyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1R,3R)-: ACTIVE
Anwendungen
Verwenden(+)-trans-Chrysanthemic Acid is a reactant in the synthesis of (1R,3R)-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (R)-2-acetoxy-3-methylbutanoate, the sex pheromone of Pseudococcus calceolariae, the citrophilous mealybug
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