Hexadecan-1,16-diol

1,2-Hexadecanediol

HCID 98037CAS 6920-24-7

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Grundinformationen

Standard-SMILES: CCCCCCCCCCCCCCC(O)CO
InChIKey: BTOOAFQCTJZDRC-UHFFFAOYSA-N
Summenformel: C16H34O2
Durchschnittliche Molmasse: 258,44 g/mol
Monoisotopische Masse: 258,25588033

Überblick

1,2-hexadecanediol is a glycol that is hexadecane which is substituted by hydroxy groups at positions 1 and 2. It derives from a hydride of a hexadecane.

Namen und Bezeichner

Bevorzugter Name: 1,2-Hexadecanediol
IUPAC: hexadecane-1,2-diol
Lokaler Name: Hexadecan-1,16-diol
Englischer Name: 1,2-Hexadecanediol
Summenformel: C16H34O2
Molmasse: 258.44

Namen und Synonyme

1,2-Hexadecanediol6920-24-7Cetyl glycol1H07JK4G0CNSC-71525CHEBI:75586DTXSID60884343RefChem:72092DTXCID801023790230-030-1Hexadecane-1,2-diol1,2-Dihydroxyhexadecane

Weitere Namen anzeigen

Hexadecan-1,2-diol1,2-Hexadecanediol>2-Hydroxycetyl alcohol1,2-Hexadecylene glycol1,2-Hexadecanediol ,90%

MFCD00004727UNII-1H07JK4G0CEINECS 230-030-1NSC 71525AI3-14193NSC715251,2-palmityl diol1,2-hexadecyl diol

Datenbank-Bezeichner

CAS: 6920-24-7
PubChem CID: 98037
DTXSID: DTXSID60884343
ChEBI: CHEBI:75586
UNII: 1H07JK4G0C
EC Number: 230-030-1
Nikkaji: J265.955G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,1
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 14
Schwere Atome: 18
Formalladung: 0
Komplexität: 148

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Organic Compounds

Cosmetics · 2 Einträge

Cosmetic ingredients (Cetyl Glycol) -> CIR (Cosmetic Ingredient Review)

Hair conditioning; Emollient

Physical DescriptionWhite solid; Slightly soluble in water; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt: 68 · 68-72 °C (lit.)
Siedepunkt: 310.3 °C · 310.3°C (rough estimate)
Dichte: 0.8878 · 0.8878 (rough estimate)
Brechungsindex: 1.4731 · 1.4731 (estimate)
Flammpunkt: 183 °C · 183 °C
storage temp.: 2 · Storage temp. 2-8°C
Löslichkeit: 0.1 · Ethanol: Slightly soluble: 0.1-1 mg/ml
pka: 14.45 · 14.45±0.20(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Almost white
BRN: 1722206 · 1722206
Stabilität: Stable. Incompatible with strong oxidizing agents.
Kosmetik-Inhaltsstoffe Funktionen: VISCOSITY CONTROLLINGHAIR CONDITIONINGSKIN CONDITIONING - EMOLLIENTSKIN CONDITIONING
InChI: InChI=1S/C16H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h16-18H,2-15H2,1H3
InChIKey: BTOOAFQCTJZDRC-UHFFFAOYSA-N
SMILES: C(O)C(O)CCCCCCCCCCCCCC
LogP: 5.615 · 5.615 (est)
EPA chemische Informationen: 1 · 1,2-Hexadecanediol (6920-24-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS ClassificationNot Classified

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 1,2-Hexadecanediol

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

1,2-hexadecane diol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesNot Classified

Toxikologische Informationen

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
hs_code: 29053990
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

UsesCIR ingredient: Cetyl Glycol

Use ClassificationCosmetics -> Hair conditioning; Emollient

General Manufacturing Information1,2-Hexadecanediol: ACTIVE

Anwendungen · 1 Eintrag

Verwenden1,2-Hexadecanediol was used as reducing agent in the preparation of silver nanocrystals from a dichlorobenzene solution containing oleyl amine as a surfactant. It was also used in the preparation of:Au-Fe3O4 hetero-dimersiron pyrite nanocrystalsmonodisperse iron platinum nanoparticles