Basic information
- CAS
2630-15-1- Standard SMILES
CCCCCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl- InChIKey
VXWISAHTAQYMSH-UHFFFAOYSA-N- Molecular formula
- C16H21Cl3O3
- Average molar mass
- 367.7 g/mol
- Monoisotopic mass
- 366.055628
Names & identifiers
- Preferred name
- Octyl (2,4,5-trichlorophenoxy)acetate
- IUPAC
- octyl 2-(2,4,5-trichlorophenoxy)acetate
- English name
- 2,4,5-t-1-Octyl ester
- Molecular formula
- C16H21Cl3O3
- Molecular weight
- 367.7
Names & synonyms
2630-15-1Octyl (2,4,5-trichlorophenoxy)acetateoctyl 2-(2,4,5-trichlorophenoxy)acetate2,4,5-T octyl esterAcetic acid, (2,4,5-trichlorophenoxy)-, octyl esterEINECS 220-109-9DTXSID80180915RefChem:856065DTXCID20103406220-109-92,4,5-T-1-octyl esteroctyl 2,4,5-trichloro-phenoxyacetate
Show more names
octyl2,4,5-trichlorophenoxyacetateoctyl2,4,5-trichloro-phenoxyacetate2,4,5-T-1-OCTYL ESTER PESTANAL, 250 MG(2,4,5-Trichlorophenoxy)acetic acid octyl ester
Acetic acid, 2-(2,4,5-trichlorophenoxy)-, octyl esterHM9RN95LK9NS00028079
Database identifiers
- CAS
2630-15-1- PubChem CID
- 75824
- DTXSID
DTXSID80180915- UNII
- HM9RN95LK9
- EC Number
- 220-109-9
- Nikkaji
- J192.147I
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 315
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 483.58 °C · 483.58°C (rough estimate)
- Density
- 1.2245 · 1.2245 (rough estimate)
- refractive index
- 1.532 · 1.5320 (estimate)
- BRN
- 2299251 · 2299251
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335-H410
- Precautionary statements
- 261 · P261-P264-P273-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xn,N
- Risk Statements
- 22 · 22-36/37/38-50/53
- Safety Statements
- 24 · 24-60-61
- RIDADR
- 3077 · UN3077 9/PG 3
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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.
Hazard information
Other Safety InformationIMAP assessments - Acetic acid, (2,4,5-trichlorophenoxy)-, octyl ester: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- UN3077 9/PG 3
- risk_code
- 22-36/37/38-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 24-60-61
- Hazard statements
- H302-H315-H319-H335-H410
- Precautionary statements
- P261-P264-P273-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2,4,5-T-1-octyl ester can be useful in phytochemical analysis of Moringa Oleifera leaves extracts by GC-MS and free radical scavenging potency for industrial applications.
Suppliers5 total
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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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