Basic information
- CAS
2259-14-5- Standard SMILES
CC(C)=C[C@H]1[C@H](C(=O)O)C1(C)C- InChIKey
XLOPRKKSAJMMEW-JGVFFNPUSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Overview
(-)-trans-chrysanthemic acid is a trans-chrysanthemic acid. It is an enantiomer of a (+)-trans-chrysanthemic acid.
Names & identifiers
- Preferred name
- Chrysanthemic acid, trans-(-)-
- IUPAC
- cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
- English name
- (1S-trans)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23284
Names & synonyms
75957WZ15YDTXSID50883820TRANS-(-)-CHRYSANTHEMIC ACIDCyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1S,3S)-CHRYSANTHEMIC ACID L-TRANS-FORMCHRYSANTHEMIC ACID, TRANS-(-)-CHRYSANTHEMIC ACID L-TRANS-FORM [MI]Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1R,3R)-rel-RefChem:577060DTXCID601023306(-)-trans-Chrysanthemic acid2259-14-5
Show more names
l-trans-Form(-)-trans-Chrysanthemicacid4-09-00-00169 (Beilstein Handbook Reference)2,2-Dimethyl-3β-(2-methyl-1-propenyl)cyclopropane-1α-carboxylic acid(1S)-2,2-Dimethyl-3β-(2-methyl-1-propenyl)cyclopropane-1α-carboxylic acid[1S,3S,(-)]-2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acidCyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1S,3S)-[1S,3S,(-)]-2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylic acid
(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid705-16-8Chrysanthemic acid dl-trans-forml-trans-chrysanthemic acid(1S-trans)-2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid(1S-trans)-2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid(-)-trans-Chrysanthemumsaeure(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 17 · 17-21°
- alpha
- 25 · D25 -14.01° (c = 1.535 in abs alc)
- Boiling point
- 99 · 99-100 °C(Press: 0.2-0.3 Torr)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.9 · 4.90±0.33(Predicted)
- FDA UNII
- 75957 WZ15Y · 75957WZ15Y
- EPA Substance Registry System
- 2 · Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1S,3S)- (2259-14-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1R,3R)-rel-: INACTIVE
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1S,3S)-: INACTIVE
Suppliers4 total
Syntechem Co.,Ltd[email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Additional notes
DefinitionChEBI: (-)-trans-chrysanthemic acid is a trans-chrysanthemic acid. It is an enantiomer of a (+)-trans-chrysanthemic acid.
Related reactions
4 records
Compound notes
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