Basic information
- CAS
2791-29-9- Standard SMILES
CCCCCCCCCCCCCCCC(OC)OC- InChIKey
LACZJJJYINHZIR-UHFFFAOYSA-N- Molecular formula
- C18H38O2
- Average molar mass
- 286.5 g/mol
- Monoisotopic mass
- 286.28718045
Names & identifiers
- Preferred name
- Hexadecane, 1,1-dimethoxy-
- IUPAC
- 1,1-dimethoxyhexadecane
- English name
- 1,1-Dimethoxyhexadecane
- Molecular formula
- C18H38O2
- Molecular weight
- 286.49
Names & synonyms
1,1-DimethoxyhexadecaneHexadecane, 1,1-dimethoxy-Hexadecanal dimethyl acetalMHW26B8K0AUNII-MHW26B8K0APalmitaldehyde, dimethyl acetalDTXSID40626441,1-DIMETHOXYHEXADECANE/PALMITATERefChem:145949DTXCID4037748LACZJJJYINHZIR-UHFFFAOYSA-N2791-29-9
Show more names
16:0 dimethylacetal1,1-dimethoxy-hexadecanPalmitaldehyde dimethyl acetalLP002261 1,1-DIMETHOXYHEXADECANE
1,1-dimethoxy-hexadecaneHexadecane,1,1-dimethoxy-1,1-Dimethoxyhexadecane #SCHEMBL825730orb3211794AKOS01584316516:0 dimethylacetal, hexadecanal-dimethylacetal, chloroform
Database identifiers
- CAS
2791-29-9- PubChem CID
- 76037
- DTXSID
DTXSID4062644- UNII
- MHW26B8K0A
- Nikkaji
- J110.776C
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 10 °C · 10°C
- Boiling point
- 368.85 °C · 368.85°C (rough estimate)
- Density
- 0.8542 · 0.8542
- refractive index
- 1.4382 · 1.4382 (estimate)
- storage temp.
- 20 °C · −20°C
- form
- liquid
- InChI
- 1S/C18H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19-2)20-3/h18H,4-17H2,1-3H3
- InChIKey
- LACZJJJYINHZIR-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCC(OC)OC
- LogP
- 7.136 · 7.136 (est)
- FDA UNII
- 26 B8K0A · MHW26B8K0A
- EPA Substance Registry System
- 1 · Hexadecane, 1,1-dimethoxy- (2791-29-9)
- UNSPSC Code
- 51191904 · 51191904
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- target organs
- Central nervous system, Liver,Kidney
- Hazard statements
- H302-H315-H319-H331-H336-H351-H361d-H372-H412
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 4 OralAquatic Chronic 3Carc. 2Eye Irrit. 2Repr. 2Skin Irrit. 2STOT RE 1STOT SE 3
- Precautionary statements
- P201-P273-P301+P312+P330-P302+P352-P304+P340+P311-P308+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexadecane, 1,1-dimethoxy-: INACTIVE
Applications
UsesDMAs are an indirect marker of levels of plasmalogens in plasma and may be used as standards for quantitation of plasmalogen in biological samples.
Suppliers2 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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