Basic information
- CAS
3302-09-8- Standard SMILES
CC(CC(C)(C)C)C(=O)O- InChIKey
UWXFTQSKZMNLSA-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- 2,4,4-Trimethylpentanoic acid
- IUPAC
- 2,4,4-trimethylpentanoic acid
- English name
- 2,4,4-Trimethylpentanoic acid
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
2,4,4-TRIMETHYLPENTANOIC ACIDRefChem:442715973-817-13302-09-8Pentanoic acid, 2,4,4-trimethyl-NSC926SCHEMBL2509692,4,4-trimethyl-pentanoic acidNSC 926NSC-926UWXFTQSKZMNLSA-UHFFFAOYSA-N2,4-TRIMETHYLPENTANOIC ACID
Show more names
MFCD000688082,4,4-TRIMETHYLPENTANOICACIDAKOS006271548AT29504DS-003557CS-0234517EN300-142567Z1198149948
Database identifiers
- CAS
3302-09-8- PubChem CID
- 95306
- EC Number
- 973-817-1
- Nikkaji
- J498.334C
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
- 122
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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