Dodecan-1,2-diol

1,2-Dodecanediol

HCID 92866CAS 1119-87-5

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Grundinformationen

Standard-SMILES: CCCCCCCCCCC(O)CO
InChIKey: ZITKDVFRMRXIJQ-UHFFFAOYSA-N
Summenformel: C12H26O2
Durchschnittliche Molmasse: 202,33 g/mol
Monoisotopische Masse: 202,19328007

Überblick

1,2-dodecanediol is a medium-chain primary fatty alcohol that is dodecane carrying hydroxy groups at positions 1 and 2. It has a role as an antibacterial agent and an antifungal agent. It is a medium-chain primary fatty alcohol, a secondary fatty alcohol and a dodecanediol.

Namen und Bezeichner

Bevorzugter Name: 1,2-Dodecanediol
IUPAC: dodecane-1,2-diol
Lokaler Name: Dodecan-1,2-diol
Englischer Name: 1,2-Dodecanediol
Summenformel: C12H26O2
Molmasse: 202.33

Namen und Synonyme

1,2-DodecanediolDodecane-1,2-diol1,2-DihydroxydodecaneLauryl glycolEMM0U4H102EINECS 214-289-8UNII-EMM0U4H102N-DODECANE-1,2-DIOL1,2-DODECYLENE GLYCOL2-HYDROXYLAURYL ALCOHOLMEXANYL GUNSC 25930

Weitere Namen anzeigen

Dodecanedioldodecane-1,laurylglycolauryl glycol1,2-Dodecandiol1,2-Dodecanediol>1,2-Dodecanediol 90%1,2-DODECANEDIOL 95+%

NSC-25930LAURYL GLYCOL [INCI]AI3-13236DTXSID30862552RefChem:72048(+-)-LAURYL GLYCOLDTXCID20811296LAURYL GLYCOL, (+-)-

Datenbank-Bezeichner

CAS: 1119-87-5
PubChem CID: 92866
DTXSID: DTXSID30862552
ChEBI: CHEBI:228133
UNII: EMM0U4H102
EC Number: 214-289-8
Nikkaji: J203.345C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 10
Schwere Atome: 14
Formalladung: 0
Komplexität: 104

Experimentelle und physikochemische Eigenschaften

Cosmetics · 2 Einträge

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

Emollient; Antistatic; Skin conditioning; Hair conditioning

Physikochemische Eigenschaften

Schmelzpunkt: 56 · 56-60 °C (lit.)
Siedepunkt: 280.32 °C · 280.32°C (rough estimate)
Dichte: 0.9216 · 0.9216 (rough estimate)
Brechungsindex: 1.4617 · 1.4617 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystaline
pka: 14.46 · 14.46±0.20(Predicted)
Farbe: White to Almost white
BRN: 1700179 · 1700179
Kosmetik-Inhaltsstoffe Funktionen: SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONINGANTISTATICHAIR CONDITIONING
InChI: InChI=1S/C12H26O2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12-14H,2-11H2,1H3
InChIKey: ZITKDVFRMRXIJQ-UHFFFAOYSA-N
SMILES: C(O)C(O)CCCCCCCCCC
LogP: 3.577 · 3.577 (est)
CAS Datenbank: 1119 · 1119-87-5(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,2-Dodecanediol (1119-87-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 15.9% (25 of 157) of reports.

Warning

H319 (84.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 157 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 1,2-Dodecanediol

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

1,2-Dodecanediol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesEye Irrit. 2 (84.1%)

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: 2905.39.9000
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

UsesCIR ingredient: Lauryl Glycol

Use ClassificationCosmetics -> Emollient; Antistatic; Skin conditioning; Hair conditioning

General Manufacturing Information1,2-Dodecanediol: ACTIVE

Anwendungen

Verwenden1,2-Dodecanediol was used in the preparation of:lipophilic diamines and amino alcoholsFe(II), Co(II) and Ni(II) ferrite nanoparticles in the range of 9-25 nm