Basic information
- CAS
1238777-58-6- Standard SMILES
Cc1cc(Cl)ccc1OCC(=O)OCCCCCC(C)C- InChIKey
PDIYKJRLQHHRAG-UHFFFAOYSA-N- Molecular formula
- C17H25ClO3
- Average molar mass
- 312.8 g/mol
- Monoisotopic mass
- 312.1492223
Names & identifiers
- Preferred name
- (4-Chloro-2-methylphenoxy)acetic acid isooctyl ester
- IUPAC
- 6-methylheptyl 2-(4-chloro-2-methylphenoxy)acetate
- English name
- MCPA-2-ETHYLHEXYL ESTER PESTANAL.
- Molecular formula
- C17H25ClO3
- Molecular weight
- 312.8316
Names & synonyms
(4-Chloro-2-methylphenoxy)acetic acid isooctyl esterisooctyl MCPARefChem:810713MCPA-isooctylMCPA ISOOCTYL ESTER1238777-58-6MCPA-isooctyl [ISO]26544-20-76-methylheptyl 2-(4-chloro-2-methylphenoxy)acetatemcpa isooctylZLQ3JF4KCBAcetic acid, (4-chloro-2-methylphenoxy)-, isooctyl ester
Show more names
mcpa,isooctylesterMCPA-isooctyl Solution, 100ppmMCPA-isooctyl Solution, 1000ppmMCPA-2-ETHYLHEXYL ESTER PESTANAL.Dimethyltetrachloroisooctyl esterMCPA-2-ETHYLHEXYL ESTER PESTANAL, 250 MGisooctyl (4-chloro-2-methylphenoxy)acetate((4-chloro-o-tolyl)oxy)-aceticaciisooctylester((4-chloro-o-tolyl)oxy)aceticacidisooctylester
((4-Chloro-o-tolyl)oxy)acetic acid isooctyl esterIsooctyl 2-methyl-4-chlorophenoxyacetateAcetic acid, ((4-chloro-o-tolyl)oxy)-, isooctyl esterIsooctyl 4-chloro-2-methylphenoxyacetate6-Methylheptyl (4-chloro-2-methylphenoxy)acetateAcetic acid, [(4-chloro-o-tolyl)oxy]-, isooctyl esterCaswell No. 557IIsooctyl alcohol, [(4-chloro-o-tolyl)oxy]acetate
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 294
Experimental & physicochemical properties
LogP6.69
Physicochemical properties
- FDA UNII
- 3 JF4KCB · ZLQ3JF4KCB
- EPA Substance Registry System
- MCPA-isooctyl (26544-20-7)
- Pesticides Freedom of Information Act (FOIA)
- MCPA, isooctyl ester
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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 Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 16 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Other Safety InformationIMAP assessments - Acetic acid, (4-chloro-2-methylphenoxy)-, isooctyl ester: Environment tier I assessment
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Applications
UsesMCPA Isooctyl Ester is a derivative of MCPA which is a herbicide.
Suppliers18 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
Longyan Tianhua Biological Technology Co., Ltd0086 18039857276 18039857276
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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