Basic information
- CAS
32118-53-9- Standard SMILES
CC(C)C(C(=O)O)C(C)C- InChIKey
GSZKHLKKYPBXKM-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- Diisopropylacetic acid
- IUPAC
- 3-methyl-2-propan-2-ylbutanoic acid
- English name
- 3-methyl-2-propan-2-yl-butanoic acid
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
32118-53-92-isopropyl-3-methylbutanoic acidButanoic acid, 3-methyl-2-(1-methylethyl)-Diisopropylacetic acid2-Isopropyl-3-methylbutyric acid0B9URE7Y2QNSC 89795NSC-89795UNII-0B9URE7Y2Q3-Methyl-2-(1-methylethyl)butanoic acidDTXSID60185908BUTYRIC ACID, 2-ISOPROPYL-3-METHYL-
Show more names
RefChem:134077DTXCID60108399InChI=1/C8H16O2/c1-5(2)7(6(3)4)8(9)10/h5-7H,1-4H3,(H,9,103-methyl-2-(propan-2-yl)butanoic acid3-methyl-2-propan-2-ylbutanoic acidButanoic acid,3-methyl-2-(1-methylethyl)-3-METHYL-2-PROPAN-2-YL-BUTANOIC ACIDdii-propylacetic acid
Database identifiers
- CAS
32118-53-9- PubChem CID
- 96832
- DTXSID
DTXSID60185908- UNII
- 0B9URE7Y2Q
- EC Number
- 868-636-9
- Nikkaji
- J1.427.097C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Boiling point
- 40 · 40-41 °C(Press: 5 Torr)
- Density
- 0.8786 g/cm3 · 0.8786 g/cm3
- pka
- 4.74 · 4.74±0.10(Predicted)
- FDA UNII
- 0 B9URE7Y2Q · 0B9URE7Y2Q
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers10 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
上海华恩医药科技有限公司13681955282 · [email protected]
苏州杉洋新材料有限公司0512-63268889 18506119477 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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