Basic information
- CAS
19009-56-4- Standard SMILES
CCCCCCCCC(C)C=O- InChIKey
LBICMZLDYMBIGA-UHFFFAOYSA-N- Molecular formula
- C11H22O
- Average molar mass
- 170.29 g/mol
- Monoisotopic mass
- 170.16706532
Overview
structure
Names & identifiers
- Preferred name
- 2-Methyldecanal
- IUPAC
- 2-methyldecanal
- English name
- 2-Methyl decanal
- Molecular formula
- C11H22O
- Molecular weight
- 170.29
Names & synonyms
2-Methyldecanal19009-56-4(4) 2-MethyldecanalDecanal, 2-methyl-MethyloctylacetaldehydeDTXSID5021623RefChem:401776DTXCID101623242-745-62-Methyldecan-1-al2-Methyl decanal2-Methyl-1-decanal
Show more names
aldehyde moa2-methyl-decanaα-MethyldecanalALDEHYD C 11 MOA2-methyl-1-decanaALDEHYDE C-11 MOADecanal,2-methyl-
MFCD00072209Methyl octyl acetaldehydeEINECS 242-745-6BRN 1753165a-Methyldecanal1-DECANAL, 2-METHYL-2-METHYL-DECANALSCHEMBL21869
Database identifiers
- CAS
19009-56-4- PubChem CID
- 29381
- DTXSID
DTXSID5021623- EC Number
- 242-745-6
- Nikkaji
- J34.879A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 99.2
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2-Methyldecanal) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physical DescriptionLiquid; CBI
Physicochemical properties
- Melting point
- -2 °C · -2°C (estimate)
- Boiling point
- 229.96 °C · 229.96°C (estimate)
- Density
- 0.8374 · 0.8374 (estimate)
- vapor pressure
- 8.24 Pa · 8.24Pa at 25℃
- refractive index
- 1.428 · 1.4280 (estimate)
- FLAVIS Number
- 5.16 · 05.160 | 2-Methyldecanal
- solubility
- Practically insoluble in water, soluble in alcohol and oils.
- color
- A colourless liquid.
- Odor
- 1 % · at 1.00 % in dipropylene glycol. powerful fresh dry citrus waxy watery
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
This chemical does not meet GHS hazard criteria for 96.2% (1542 of 1603) of all reports.
Not Classified
Aggregated GHS information provided per 1603 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Decanal, 2-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Decanal, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Decanal, 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)
REACH registered substance: 2-methyldecan-1-al (EC: 242-745-6)
Decanal, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Toxicity
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1975)
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H317-H411-H315
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 400,000 - <550,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 3 consumer products that contain Methyloctyl Acetaldehyde in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Decanal, 2-methyl-: ACTIVE
Applications
OccurrenceHas apparently not been reported to occcur in nature
Preparation methods
PreparationFrom methyl octyl ketone and ethyl chloroacetate by the Daryens reaction
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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