Chrysanthemic acid, cis-(-)-

HCID 20755

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Basic information

CAS: 15259-78-6
Standard SMILES: CC(C)=C[C@@H]1[C@H](C(=O)O)C1(C)C
InChIKey: XLOPRKKSAJMMEW-HTQZYQBOSA-N
Molecular formula: C10H16O2
Average molar mass: 168.23 g/mol
Monoisotopic mass: 168.11502975

Names & identifiers

Preferred name: Chrysanthemic acid, cis-(-)-
IUPAC: trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
English name: cis-chrysanthemic acid
Molecular weight: 0

Names & synonyms

(-)-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)-

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 234

Physicochemical properties

Symbol(GHS): 7 · GHS07,GHS08
Signal word: Danger
Hazard statements: 302 · H302-H317-H319-H315-H335-H334
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P285-P304+P341-P342+P311-P501
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38-42/43
Safety Statements: 26 · 26-36

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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%)

Safety data

risk_code: 22-36/37/38-42/43
Signal word: Danger
Symbol(GHS): GHS07,GHS08
hazard_code: Xn
safety_code: 26-36
Hazard statements: H302-H317-H319-H315-H335-H334
Precautionary statements: P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P285-P304+P341-P342+P311-P501

Chemistry & industry

Uses & manufacturing

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

Applications

Usescis-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.