Basic information
- CAS
15677-71-1- Standard SMILES
CCCCCCCCC=CCCCCCCCC(OC)OC- InChIKey
WBNMCUYSZJIEFY-UHFFFAOYSA-N- Molecular formula
- C20H40O2
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.30283051
Names & identifiers
- Preferred name
- 9-Octadecene, 1,1-dimethoxy-, (9Z)-
- IUPAC
- 1,1-dimethoxyoctadec-9-ene
- English name
- Oleic aldehyde dimethyl acetal
- Molecular formula
- C20H40O2
- Molecular weight
- 312.53
Names & synonyms
1,1-dimethoxyoctadec-9-ene9-Octadecene, 1,1-dimethoxy-, (9Z)-15677-71-1DTXSID0033647718:1 dimethylacetalOleic aldehyde dimethyl acetal(Z)-1,1-Dimethoxy-9-octadecene
Database identifiers
- CAS
15677-71-1- PubChem CID
- 533997
- DTXSID
DTXSID00336477
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 386.2 · 386.2±35.0 °C(Predicted)
- Density
- 0.855 · 0.855±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- form
- liquid
- InChI
- 1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-2)22-3/h11-12,20H,4-10,13-19H2,1-3H3
- InChIKey
- WBNMCUYSZJIEFY-UHFFFAOYSA-N
- SMILES
- CCCCCCCC/C=C\CCCCCCCC(OC)OC
- UNSPSC Code
- 51191904 · 51191904
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H319-H331-H336-H351-H361d-H372-H412
- Precautionary statements
- 201 · P201-P273-P301+P312+P330-P302+P352-P304+P340+P311-P308+P313
- target organs
- Central nervous system, Liver,Kidney
- WGK Germany
- 3 · WGK 3
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
- WGK 3
- 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
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
Creative Enzymes1-516-855-7709 · [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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