Basic information
- CAS
110-41-8- Standard SMILES
CCCCCCCCCC(C)C=O- InChIKey
NFAVNWJJYQAGNB-UHFFFAOYSA-N- Molecular formula
- C12H24O
- Average molar mass
- 184.32 g/mol
- Monoisotopic mass
- 184.18271539
Overview
2-methyl-Undecanal is a saturated fatty aldehyde and a 2-methyl-branched fatty aldehyde.
Names & identifiers
- Preferred name
- 2-Methylundecanal
- IUPAC
- 2-methylundecanal
- English name
- 2-METHYLUNDECANAL
- Molecular formula
- C12H24O
- Molecular weight
- 184.32
Names & synonyms
2-Methylundecanal110-41-8UNDECANAL, 2-METHYL-Aldehyde M.N.A.MethylnonylacetaldehydeAldehyde C-12Methyl-n-nonylacetaldehyde2-MethylhendecanalMethylnonylacetic aldehydeAldehyde C-12 mna2-methyl UndecanalMethyl n-nonyl acetaldehyde
Show more names
MNAFEMA 2749FEMA 2794methyln-nonylaceticaldehydeAldehydeMNAaldehydem.n.a.
Methyl nonyl acetic aldehyde2-Methyl-1-undecanalFEMA No. 2749Methyl nonyl acetaldehydeMethyl n-nonyl acetic aldehydeDTXSID9047629UNII-S94QNS2VY5EINECS 203-765-0
Database identifiers
- CAS
110-41-8- PubChem CID
- 61031
- DTXSID
DTXSID9047629- ChEMBL
CHEMBL3182849- ChEBI
CHEBI:229419- UNII
- S94QNS2VY5
- EC Number
- 203-765-0
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aldehydes
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (2-Methylundecanal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.822-0.830
Flavoring AgentsEU Flavoring substances
Solubility
soluble in fixed oils, alcohol, and propylene glycol (solution may be turbid); insoluble in glycerol
(in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point171 °C
Refractive Index1.431-1.436
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (> 99.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1925 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Undecanal, 2-methyl-
Regulation (EC) No 1831/2003 (amended)
Undecanal, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Undecanal, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 13-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13317
Undecanal, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Acros Organics MSDS] See Undecanal.
Hazard Classes and CategoriesSkin Irrit. 2 (> 99.9%)
Safety data
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- YQ1509000
- Toxicity
- The acute oral LD50 value was reported as > 5 g/kg in the rat . The acute dermal LD50 for sample no. 71-16 was reported to be > 10 g/kg in the rabbit
- Signal word
- Warning
- Symbol(GHS)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
UsesUsed as flavoring agent or adjuvant; [FDA]
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 98 consumer products that contain Methylundecanal in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Undecanal, 2-methyl-: ACTIVE
Applications
Description2-Methylundecanal has a characteristic fatty odor assuming a floral note on dilution. It has an acrid, fatty unpleasant flavor at high levels. At low levels, the flavor is honey- and nut-like. It may be prepared by cracking the corresponding glycidic acid; from α-nonyl acrolein; from methyl nonyl ketone and ethyl monochloroacetate in the presence of sodium ethylate.
Reported found in kumquat peel oil.
Related reactions
8 records
Compound notes
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