Decan-1,2-diol
1,2-Decanediol
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Grundinformationen
- CAS
1119-86-4- Standard-SMILES
CCCCCCCCC(O)CO- InChIKey
YSRSBDQINUMTIF-UHFFFAOYSA-N- Summenformel
- C10H22O2
- Durchschnittliche Molmasse
- 174,28 g/mol
- Monoisotopische Masse
- 174,16197994
Überblick
Decane-1,2-diol is a glycol that is decane bearing two hydroxy substituents located at positions 1 and 2. It has a role as an antioxidant, an anti-inflammatory agent and a human metabolite. It is a volatile organic compound and a glycol. It derives from a hydride of a decane.
Namen und Bezeichner
- Bevorzugter Name
- 1,2-Decanediol
- IUPAC
- decane-1,2-diol
- Lokaler Name
- Decan-1,2-diol
- Englischer Name
- 1,2-Decanediol
- Summenformel
- C10H22O2
- Molmasse
- 174.28
Namen und Synonyme
1,2-Decanediol1119-86-4Decane-1,2-diolDecylene glycol1,2-DihydroxydecaneSYMCLARIOLS57M60MI88NSC-28662SYMCLARIOL 344028CHEBI:143858DTXSID601009388RefChem:71770
Weitere Namen anzeigen
AI3-165952-Decanediol1，2-decyldiolDecan-1,2-diol1,2-Decandiol, 98%1,2-Decanediol >1,2-Decanediol 98%1,2-Decanediol,98%
DTXCID50894976214-288-2MFCD000107391,2-DECYLENE GLYCOLUNII-S57M60MI88decane 1,2-diolNSC28662EINECS 214-288-2
Datenbank-Bezeichner
- CAS
1119-86-4- PubChem CID
- 79141
- DTXSID
DTXSID601009388- ChEBI
CHEBI:143858- UNII
- S57M60MI88
- EC Number
- 214-288-2
- Nikkaji
- J80.156I
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 83,9
Experimentelle und physikochemische Eigenschaften
PolymersOther Classes -> Alcohols and Polyols, Other
CosmeticsCosmetic ingredients (Decylene Glycol) -> CIR (Cosmetic Ingredient Review)
Physical DescriptionHygroscopic solid; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 48 · 48-50 °C (lit.)
- Siedepunkt
- 255 °C · 255 °C (lit.)
- Dichte
- 0.9418 · 0.9418 (rough estimate)
- Dampfdruck
- 0.004 Pa · 0.004Pa at 20℃
- Brechungsindex
- 1.4561 · 1.4561 (estimate)
- Flammpunkt
- 113 °C · 113 °C
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 14.48 · 14.48±0.20(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (3 of 125) of reports.
Danger
H318 (96.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 125 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 1,2-Decanediol
Status: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17615
1,2-Decanediol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Acros Organics MSDS] See 1-Decanol.
Hazard Classes and CategoriesEye Dam. 1 (96.8%)
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
- 2
- hs_code
- 29053995
- safety_code
- 24/25
- Speicherklasse
Chemie und Industrie
Verwendung und Herstellung
UsesCIR ingredient: Decylene Glycol
Household ProductsInformation on 5 consumer products that contain Decylene Glycol in the following categories is provided:
Anwendungen
Verwenden1,2-Decanediol is a 1,2-alkanediol that is used as an antimicrobial agent in cosmetics. It also suppresses the fluidity of the hydrophilic and hydrophobic groups in the phospholipid membrane of liposomes. Preparation of 1-decene by deoxygenation of 1,2-decanediol with formic acid. It is used to Synthesis of EDOT-C8.
Ergänzende Hinweise
DefinitionChEBI: 1,2-Decanediol is a glycol that is decane bearing two hydroxy substituents located at positions 1 and 2. It has a role as an anti-inflammatory agent, an antioxidant and a human metabolite. It is a glycol and a volatile organic compound. It derives from a hydride of a decane.
Zugehörige Reaktionen
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