Basic information
- CAS
42329-90-8- Standard SMILES
CCC(C)CC(C)C(=O)O- InChIKey
GMWSHXONQKXRHS-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- 2,4-Dimethylhexanoic acid
- IUPAC
- 2,4-dimethylhexanoic acid
- English name
- 2,4-DIMETHYLHEXANOIC ACID
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
2,4-DIMETHYLHEXANOIC ACID70621-82-8EINECS 274-702-242329-90-8DTXSID10962428RefChem:82538DTXCID001390234274-702-22,4-DIMETHYLHEXANOICACIDSCHEMBL1572858SCHEMBL20490063(+)-2,4-dimethyl-hexanoic acid
Show more names
Hexanoic acid, 2,4-dimethyl-
VCA62182AKOS011383897CS-0237412NS00061596EN300-1832358
Database identifiers
- CAS
42329-90-8、70621-82-8- PubChem CID
- 39177
- DTXSID
DTXSID10962428- EC Number
- 274-702-2
- Nikkaji
- J288.739H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 228.91 °C · 228.91°C (estimate)
- Density
- 0.9173 · 0.9173 (rough estimate)
- refractive index
- 1.411 · 1.4110 (estimate)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Hexanoic acid, 2,4-dimethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H315-H318
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers5 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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