2-Methylnonanoic acid
Basic information
- CAS
24323-21-5- Standard SMILES
CCCCCCCC(C)C(=O)O- InChIKey
KUSYIGBGHPOWEL-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Overview
2-methyl nonaoic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 2-Methylnonanoic acid
- IUPAC
- 2-methylnonanoic acid
- English name
- 2-Methylnonanoic acid
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26
Names & synonyms
2-Methylnonanoic acid24323-21-52-Methylnonan-1-oic acidNonanoic acid, 2-methyl-EINECS 246-162-8DTXSID80884901RefChem:476109DTXCID701024321246-162-82-methyl nonaoic acid2-methyl-nonanoic acidSCHEMBL277985
Show more names
2-methyl-nonanoicaciNonanoicacid,2-methyl-2-Methylnonanoicacid,98%
SCHEMBL277986SCHEMBL7779699SCHEMBL8148728SCHEMBL21603084CHEBI:179555LMFA01020089MFCD00154319NS00050711
Database identifiers
- CAS
24323-21-5- PubChem CID
- 91166
- DTXSID
DTXSID80884901- ChEBI
CHEBI:179555- EC Number
- 246-162-8
- Nikkaji
- J287.212I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Physicochemical properties
- Boiling point
- 265 ℃ · 265℃
- Density
- 0.9047 · 0.9047 (rough estimate)
- refractive index
- 1.419 · 1.4190 (estimate)
- pka
- 4.82 · 4.82±0.21(Predicted)
- LogP
- 3.78 · 3.780 (est)
- EPA Substance Registry System
- 2 · 2-Methylnonanoic acid (24323-21-5)
- Symbol(GHS)
- 5 · GHS05
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
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 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (20%)
Safety data
- tsca
- TSCA listed
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- Hazard statements
- H314-H318
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNonanoic acid, 2-methyl-: INACTIVE
Additional notes
DefinitionChEBI: 2-methyl nonaoic acid is a medium-chain fatty acid.
Related reactions
2 records
Compound notes
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