Basic information
- CAS
1185-29-1- Standard SMILES
CCCCC(C)(CC)C(=O)O- InChIKey
LYIMSMCQBKXQDK-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 2-Ethyl-2-methylhexanoic acid
- IUPAC
- 2-ethyl-2-methylhexanoic acid
- English name
- 2-Ethyl-2-methylcaproic acid
- Molecular formula
- C9H18O2
- Molecular weight
- 158.24
Names & synonyms
2-Ethyl-2-methylhexanoic acid1185-29-12-Methyl-2-ethylcaproic acidRefChem:475164214-680-32-ETHYL-2-METHYLCAPROIC ACID2-Methyl-2-ethylhexanoic acidEINECS 214-680-3SCHEMBL277349SCHEMBL2773502-methyl-2-ethyl-hexanoic acidDTXSID00881255
Show more names
METHYL-ETHYL-HEXANOICACID2-Ethyl-2-methylhexansaure2-METHYL-2-ETHYLHEXANOICACIDIsononansure (Isomerengemisch)
Hexanoic acid, 2-aethyl-a2-amethyl-AKOS012031576NS00021548
Database identifiers
- CAS
1185-29-1- PubChem CID
- 36646
- DTXSID
DTXSID00881255- EC Number
- 214-680-3
- Nikkaji
- J203.445J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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