6-Methyl-7-oxooctanoic acid
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Basic information
- CAS
99183-34-3- Standard SMILES
CC(=O)C(C)CCCCC(=O)O- InChIKey
WFGUTPGXNJPFOF-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- 6-Methyl-7-oxooctanoic acid
- IUPAC
- 6-methyl-7-oxooctanoic acid
- English name
- 6-methyl-7-oxooctanoic acid
- Molecular formula
- C9H16O3
- Molecular weight
- 172.22
Names & synonyms
6-methyl-7-oxooctanoic acid99183-34-3RefChem:543954822-583-8MFCD20639044Pinacolborane Impurity 296-methyl-7-oxooctanoicacidSCHEMBL9990596-methyl-7-oxo-octanoic acidOctanoic acid, 6-methyl-7-oxo-WFGUTPGXNJPFOF-UHFFFAOYSA-NAKOS026727141
Show more names
5-methyl-6-oxoheptane-1-carboxylic acidBS-52507CS-0272288E84068EN300-112105F681054Z1262513809
Database identifiers
- CAS
99183-34-3- PubChem CID
- 71756573
- EC Number
- 822-583-8
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H318
- 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
- H315-H335-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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