Chrysanthemic Acid

HCID 2743
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Basic information

CAS
10453-89-1
Standard SMILES
CC(C)=CC1C(C(=O)O)C1(C)C
InChIKey
XLOPRKKSAJMMEW-UHFFFAOYSA-N
Molecular formula
C10H16O2
Average molar mass
168.23 g/mol
Monoisotopic mass
168.11502975

Names & identifiers

Preferred name
Chrysanthemic Acid
IUPAC
2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
English name
2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid
Molecular formula
C10H16O2
Molecular weight
168.23

Names & synonyms

CHRYSANTHEMIC ACID10453-89-1Chrysanthemumic acidChrysanthemummonocarboxylic acid2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acidCHEBI:3680DTXSID30871866774IH300I2Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-RefChem:125954chrysanthemic acid, (+,-)
Show more names
C09842Nsc11779chrysanthemicaciChrysanthemic AidchrysanthemumicacidCIS/TRANS-CHRYSANTHEMIC ACIDCHRYSANTHEMUM MONOCARBOXYLIC ACIDchrysanthemummonocarboxylicacidmixedisomersChrysanthemic acid (cis/trans=1:10) 98% (GC)
DTXCID90819481233-941-2NSC 117792,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acidD,L-cis,trans-Chrysanthemic acidMFCD000576983-Isobutenyl-2,2-dimethylcyclopropanecarboxylic acid2-(1-Isobutenyl)-3,3-dimethylcyclopropanecarboxylic acid

Database identifiers

CAS
10453-89-1、2935-23-1、705-16-8
PubChem CID
2743
DTXSID
DTXSID30871866
ChEMBL
CHEMBL1437285
ChEBI
CHEBI:3680
EC Number
211-883-9、220-908-2、233-941-2
Nikkaji
J10.459K

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

Experimental & physicochemical properties

Kovats Retention Index1283；1343.2
Collision Cross Section130 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Boiling point
257.18 °C · 257.18°C (rough estimate)
Density
0.9812 · 0.9812 (rough estimate)
refractive index
1.489 · 1.4890 (estimate)
Melting point
50 · 50-51 °C
pka
4.9 · 4.90±0.33(Predicted)
form
oil

Safety & regulation

GHS classification

GHS Classification · 2 items

Not Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Not Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and Categories · 2 items

Not Classified

Not Classified

Safety data

tsca
TSCA listed
Toxicity
guinea pig,LD50,oral,2500mg/kg (2500mg/kg),Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986.
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Chemistry & industry

Uses & manufacturing

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

Applications

UsesChrysanthemic Acid is an intermediate in the synthesis of Chrysanthemic Acid (C903440); Dimethrin is a pesticide, a pyrethroid insecticide. An acaricide for agricultural purposes.

Upstream & downstream products

Downstream products

Suppliers23 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]

Additional notes

DefinitionChEBI: A monocarboxylic acid that is cyclopropanecarboxylic acid substituted by two methyl groups at position 2 and a 2-methylprop-1-en-1-yl group at position 3.

Related reactions

32 records
New reaction record

Compound notes

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