Basic information
- CAS
3302-12-3- Standard SMILES
CC(C)(C)CC(C)(C)C(=O)O- InChIKey
UDILKAAYNUPREE-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- 2,2,4,4-Tetramethylpentanoic acid
- IUPAC
- 2,2,4,4-tetramethylpentanoic acid
- English name
- 2,2,4,4-TETRAMETHYLPENTANOICACID
- Molecular weight
- 0
Names & synonyms
2,2,4,4-TETRAMETHYLPENTANOIC ACID3302-12-3DTXSID30186664RefChem:80866DTXCID70109155881-763-42,2,4,4-TETRAMETHYLPENTANOICACIDPentanoic acid, 2,2,4,4-tetramethyl-SCHEMBL85014SCHEMBL4312502,2,4,4-tetramethylvaleric acidMFCD00214133
Show more names
TETRAMETHYLN-VALERIANICACID
AKOS0226358692,2,4,4-Tetramethylpentanoic acid #AT29480SY502798EN300-719537Z1262511189
Database identifiers
- CAS
3302-12-3- PubChem CID
- 18699
- DTXSID
DTXSID30186664- EC Number
- 881-763-4
- Nikkaji
- J598.287A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-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
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
- H315-H318-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
BASF-MISC—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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