1,2-Decanediol (HCID 79141)

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 Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 40,5 Å²
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)
Aggregatzustand: Solid
Farbe: White to Off-White
Wasserlöslichkeit: 579 mg/L · 579mg/L at 20℃
Kosmetik-Inhaltsstoffe Funktionen: SKIN CONDITIONING
InChI: InChI=1S/C10H22O2/c1-2-3-4-5-6-7-8-10(12)9-11/h10-12H,2-9H2,1H3
InChIKey: YSRSBDQINUMTIF-UHFFFAOYSA-N
SMILES: C(O)C(O)CCCCCCCC
LogP: 1.99 at · 1.99 at 22.4℃
CAS Datenbank: 1119 · 1119-86-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 3 Einträge

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: 11 - Combustible Solids
Hazard Classifications: Skin Irrit. 2

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 · 1 Eintrag

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.

Anbieter50 Anbieter

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Ergänzende Hinweise · 1 Eintrag

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.