1-O-Dodecylglycerol

HCID 97774

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Basic information

CAS: 1561-07-5
Standard SMILES: CCCCCCCCCCCCOCC(O)CO
InChIKey: GBXRUYNQDDTQQS-UHFFFAOYSA-N
Molecular formula: C15H32O3
Average molar mass: 260.41 g/mol
Monoisotopic mass: 260.23514488

Names & identifiers

Preferred name: 1-O-Dodecylglycerol
IUPAC: 3-dodecoxypropane-1,2-diol
English name: 1-0-DODECYL-RAC-GLYCEROL
Molecular formula: C15H32O3
Molecular weight: 260.41

Names & synonyms

1561-07-51-O-Dodecylglycerol1-Lauryl glyceryl ether7P8B67DIVINSC-38645J206.792GCHEBI:144943DTXSID101315691RefChem:433405DTXCID501745585216-334-73-Dodecyloxypropane-1,2-diol

Show more names

Einecs 216-334-7laurylglycerylether1-laurylglyceryletherglycerol1-dodecylether1-0-dodecyl-rac-glycerol4-Oxahexadecane-1,2-diolglyceryl 1-O-rac-laurate

1-O-Dodecyl-rac-glycerol3-dodecoxypropane-1,2-diol3-(dodecyloxy)propane-1,2-diol3-O-Dodecyl-sn-glycerol1,2-Propanediol, 3-(dodecyloxy)-3-Dodecyloxy-1,2-propanediol1-dodecylglycerol etherC15H32O3

Database identifiers

CAS: 1561-07-5
PubChem CID: 97774
DTXSID: DTXSID101315691
ChEBI: CHEBI:144943
UNII: 7P8B67DIVI
EC Number: 216-334-7
Nikkaji: J206.792G

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 14
Heavy atoms: 18
Formal charge: 0
Complexity: 151

Physicochemical properties

Melting point: 62 · 62-63 °C
Boiling point: 390.5 · 390.5±22.0 °C(Predicted)
Density: 0.937 · 0.937±0.06 g/cm3(Predicted)
storage temp.: 20 °C · −20°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 13.68 · 13.68±0.20(Predicted)
color: White to Off-White
Cosmetics Ingredients Functions: SURFACTANT - CLEANSINGSURFACTANT - EMULSIFYING
FDA UNII: 7 P8B67DIVI · 7P8B67DIVI
WGK Germany: 3 · 3

Safety & regulation

Hazard information

Regulatory InformationChemical: 1,2-Propanediol, 3-(dodecyloxy)-

Regulatory information

Regulatory InformationChemical: 1,2-Propanediol, 3-(dodecyloxy)-

Safety data

wgk: 3

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Substances that inhibit or arrest DENTAL CARIES formation. (Boucher's Clinical Dental Terminology, 4th ed)

Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.

Applications

Uses1-O-Dodecylglycerol is a antibacterial agent which stimulates autolysin activity in Streptococcus faecium ATCC 9790. It is also found to be synergistic with amphotericin B against fungi.

Suppliers8 total

艾吉析科技（上海）有限公司17717235263 · [email protected]

吉林中科研伸科技有限公司18143011203 · [email protected]

湖北扬信医药科技有限公司15347293736 · [email protected]

上海马氏化学科技有限公司19916721580 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Additional notes · 1 item

DefinitionChEBI: 1-O-dodecylglycerol is an alkylglycerol that is glycerol in which the hydrogen of one of the primary hydroxy groups has been replaced by a dodecyl group. It is an alkylglycerol and a glycol. It is functionally related to a dodecan-1-ol.