Basic information
- CAS
1713-15-1- Standard SMILES
CC(C)COC(=O)COc1ccc(Cl)cc1Cl- InChIKey
GPSGZZSRFJXXBA-UHFFFAOYSA-N- Molecular formula
- C12H14Cl2O3
- Average molar mass
- 277.14 g/mol
- Monoisotopic mass
- 276.0319997
Names & identifiers
- Preferred name
- 2,4-D-isobutyl
- IUPAC
- 2-methylpropyl 2-(2,4-dichlorophenoxy)acetate
- English name
- Isobutyl 2,4-dichlorophenoxyacetate
- Molecular formula
- C12H14Cl2O3
- Molecular weight
- 277.14
Names & synonyms
Isobutyl 2,4-dichlorophenoxyacetate2,4-D isobutyl ester2,4-D-isobutylIsobutyl 2,4-DCaswell No. 315AR2,4-D Iso butyl ester2,4-D-isobutyl [ISO]EPA Pesticide Chemical Code 030062NSC 409768DTXSID60413472,4-D, ISOBUTYL ESTERUNII-R10W5VXM7E
Show more names
2,4-D isobutylC11943000 2,4-D-isobutyLester2,4-D-iso-butyl ester (technical)sobutyl 2.4-dichlorophenoxyacetateIsobutyl 2-(2,4-dichlorophenoxy)acetate2.4-d-iso-butyl glycol ester (technical)2,4-D-isobutyl ester 100 μg/ml Acetonitrile
EINECS 216-992-5R10W5VXM7E(2,4-Dichlorophenoxy)acetic acid isobutyl esterBRN 2131598AI3-16674NSC-4097684-06-00-00910 (Beilstein Handbook Reference)DTXCID4021347
Database identifiers
- CAS
1713-15-1- PubChem CID
- 15580
- DTXSID
DTXSID6041347- ChEMBL
CHEMBL3186449- UNII
- R10W5VXM7E
- EC Number
- 216-992-5
- Nikkaji
- J7.760G
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Experimental & physicochemical properties
Collision Cross Section172.2 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6041347]
Physicochemical properties
- Boiling point
- 133 · 133-134 °C(Press: 1 Torr)
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 1713 · 1713-15-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 10 W5VXM7E · R10W5VXM7E
- NIST Chemistry Reference
- 2 · Acetic acid, (2,4-dichlorophenoxy)-, 2-methylpropyl ester(1713-15-1)
- EPA Substance Registry System
- 2 · 2,4-D isobutyl ester (1713-15-1)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317-H410
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
This chemical does not meet GHS hazard criteria for 15% (3 of 20) of reports.
Warning
H302 (85%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 20 reports by companies from 3 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-dichlorophenoxy)-, 2-methylpropyl ester: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (85%)
Safety data
- ridadr
- 3348
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H302-H317-H410
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers33 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
武汉卡诺斯科技有限公司153-37111468 15337111468 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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