Basic information
- CAS
24323-25-9- Standard SMILES
CCCCCCCCCC(C)C(=O)O- InChIKey
PFFITEZSYJIHHR-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Overview
2-methyl-undecanoic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- Undecanoic acid, 2-methyl-
- IUPAC
- 2-methylundecanoic acid
- English name
- 2-Methylundecanoic acid
- Molecular formula
- C12H24O2
- Molecular weight
- 200.32
Names & synonyms
2-Methylundecanoic acid24323-25-9Undecanoic acid, 2-methyl-EINECS 246-164-9DTXSID00884903RefChem:901055DTXCID401024322246-164-92-methyl-undecanoic acidUndecanoic acid,2-methyl-MFCD000608372-methyl undecanoic acid
Show more names
RARECHEM AL BE 0543
SCHEMBL220905SCHEMBL919484SCHEMBL4849724SCHEMBL7787167SCHEMBL23142266CHEBI:179754LMFA01020053NS00051937
Database identifiers
- CAS
24323-25-9- PubChem CID
- 91168
- DTXSID
DTXSID00884903- ChEBI
CHEBI:179754- EC Number
- 246-164-9
- Nikkaji
- J287.214E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 143
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
FragrancesFragrance Ingredient (2-Methylundecanoic acid) -> IFRA transparency List
Physicochemical properties
- Melting point
- 13 °C · 13 °C
- Boiling point
- 293.36 °C · 293.36°C (estimate)
- Density
- 0.891 · 0.8910 (rough estimate)
- refractive index
- 1.4251 · 1.4251 (estimate)
- pka
- 4.83 · 4.83±0.21(Predicted)
- EPA Substance Registry System
- 2 · Undecanoic acid, 2-methyl- (24323-25-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H412
- Precautionary statements
- 273 · P273-P501-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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1286 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H412
- Precautionary statements
- P273-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain Undecanoic acid, 2-methyl- in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationUndecanoic acid, 2-methyl-: ACTIVE
Suppliers17 total
上海腾准生物科技有限公司19821570922 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
2 records
Compound notes
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