Basic information
- CAS
2765-11-9- Standard SMILES
CCCCCCCCCCCCCCC=O- InChIKey
XGQJZNCFDLXSIJ-UHFFFAOYSA-N- Molecular formula
- C15H30O
- Average molar mass
- 226.4 g/mol
- Monoisotopic mass
- 226.22966558
Overview
Pentadecanal is a long-chain fatty aldehyde that is pentadecane carrying an oxo substituent at position 1. It is a component of essential oils from plants like Solanum erianthum and Cassia siamea. It has a role as a volatile oil component, an antimicrobial agent and a plant metabolite. It is a long-chain fatty aldehyde and a 2,3-saturated fatty aldehyde.
Names & identifiers
- Preferred name
- Pentadecanal
- IUPAC
- pentadecanal
- English name
- pentadecanal
- Molecular formula
- C15H30O
- Molecular weight
- 226.4
Names & synonyms
PENTADECANAL2765-11-91-pentadecanaln-pentadecanalPXR39QX5Q7CHEBI:17302DTXSID5062633RefChem:171332DTXCID7037715220-435-1Pentadecanal-Pentadecyl Aldehyde
Show more names
Pentadecanal>1-Pentadecanone11-ButylundecanalPentadecanaldehydePentadecanaldehyde Pentadecyl Aldehyde
MFCD12911660pentadecaldehydeUNII-PXR39QX5Q7SCHEMBL120108LMFA06000083AKOS013844767P1869C01948
Database identifiers
- CAS
2765-11-9- PubChem CID
- 17697
- DTXSID
DTXSID5062633- ChEMBL
CHEMBL5410059- ChEBI
CHEBI:17302- UNII
- PXR39QX5Q7
- EC Number
- 220-435-1
- Nikkaji
- J97.279G
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 131
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
SpringerMaterials PropertiesBoiling point
Boiling Point284.00 to 286.00 °C. @ 760.00 mm Hg
Melting Point24 - 25 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 25 °C · 25°C(lit.)
- Boiling point
- 183 °C/23mmHg · 183°C/23mmHg(lit.)
- Density
- 0.827 · 0.827
- refractive index
- 1.4428 · 1.4428 (estimate)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
- form
- Off-White Semi-Solid
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Pentadecanal
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2912.19.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
General Manufacturing InformationPentadecanal: ACTIVE
Applications
UsesPentadecanal only rarely offered from the regular manufacturers of perfume chemicals, is occasionally used in perfume compositions as pari of a floral base or part of a floral top note, aldehydic-green or aldehydic-fruity topnote. It blends excellently with Methylnonylacetaldehyde and has a mellowing effect upon that material, but in general, pentadecanal is dispensable in modem perfumery.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers57 total
Related reactions
1 records
Compound notes
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