1,2,6-Hexanetriol (HCID 7823)

Überblick

1,2,6-Hexanetriol is an aliphatic alcohol.

Namen und Bezeichner

Bevorzugter Name: 1,2,6-Hexanetriol
IUPAC: hexane-1,2,6-triol
Lokaler Name: Hexan-1,2,6-triol
Englischer Name: 1,2,6-Hexanetriol
Summenformel: C6H14O3
Molmasse: 134.17

Namen und Synonyme

1,2,6-HEXANETRIOL106-69-41,2,6-TrihydroxyhexaneDTXSID0041224W45XXM0XWENSC404957NSC-404957DTXCID8021224RefChem:71584203-424-6Hexane-1,2,6-triolHexanetriol-1,2,6

Weitere Namen anzeigen

Hexane-1，2，6-triolhexane-1,UNII:W45XXM0XWEHexan-1,2,6-triol1,5,6-HexanetriolHEXANETRIOL(1,2,6-)1,2,6-Hexanetriol>1,2,6-HEXANETRIOL 97%1,2,6-HEXANETRIOL 97%

1,6-HexanetriolMFCD00002976NSC 404957Hexane-1,6-triolWLN: Q4YQ & 1Q4-01-00-02784 (Beilstein Handbook Reference)1,2,6-Trihydroxyhexane, >=95%H1069

Datenbank-Bezeichner

CAS: 106-69-4
PubChem CID: 7823
DTXSID: DTXSID0041224
ChEMBL: CHEMBL3184716
ChEBI: CHEBI:179443
UNII: W45XXM0XWE
EC Number: 203-424-6
Nikkaji: J35.168G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,7
Polarare Oberfläche (TPSA): 60,7 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 9
Formalladung: 0
Komplexität: 56,3

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Alcohols and Polyols, Other

CosmeticsHumectant; Skin conditioning; Emollient; Viscosity controlling; Solvent

Vapor Pressure0.0000791 [mmHg]

Physical DescriptionClear, light yellow, viscous liquid; [Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 25 · 25-32 °C
Siedepunkt: 178 °C/5 · 178 °C/5 mmHg (lit.)
Dichte: 1.109 g/mL · 1.109 g/mL at 25 °C (lit.)
Dampfdichte: 4.63 · 4.63 (vs air)
Dampfdruck: 0.01 mm · <0.01 mm Hg ( 20 °C)
Brechungsindex: 20 · n20/D 1.476(lit.)
Flammpunkt: 175 °F · 175 °F
storage temp.: 30 °C · Store below +30°C.
Aggregatzustand: Viscous Liquid
pka: 14.38 · 14.38±0.20(Predicted)
Farbe: light yellow
PH: 4.5 · 4.5-7.5 (300g/l, H2O, 25℃)
Wasserlöslichkeit: MISCIBLE
BRN: 1304479 · 1304479
Henry's Law Constant: 2 · 2.0×109 mol/(m3Pa) at 25℃, Saxena and Hildemann (1996)
Stabilität: Stable. Combustible. Incompatible with strong oxidizing agents, acid anhydrides, acid chlorides.
Kosmetik-Inhaltsstoffe Funktionen: HUMECTANTVISCOSITY CONTROLLINGSOLVENT
InChI: 1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2
InChIKey: ZWVMLYRJXORSEP-UHFFFAOYSA-N
SMILES: OCCCCC(O)CO
LogP: -0.77 at · -0.77 at 25℃
CAS Datenbank: 106 · 106-69-4(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,2,6-Hexanetriol(106-69-4)
EPA chemische Informationen: 1 · 1,2,6-Hexanetriol (106-69-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 88.9% (8 of 9) of all reports.

Warning

H315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 1,2,6-Hexanetriol

Status: Active Update: 16-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21934

1,2,6-Hexanetriol: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

A mild skin irritant; Causes changes in structure or function of endocrine pancreas and other changes to the liver in lethal-dose studies of rats (intravenous and intraperitoneal routes); Causes altered sleep time, somnolence, and respiratory stimulation in subcutaneous lethal-dose studies of rats and mice; [RTECS] May cause irritation; [Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (11.1%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
ridadr: NA 1993 / PGIII
hs_code: 2905 49 00
RTECS-Nr.: MO4650000
Toxizität: LD50 orally in Rabbit: 15500 mg/kg
safety_code: 24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as a solvent and an intermediate for alkyd and polyester resins; [Hawley]

Use ClassificationCosmetics -> Humectant; Skin conditioning; Emollient; Viscosity controlling; Solvent

General Manufacturing Information1,2,6-Hexanetriol: ACTIVE

Anwendungen · 1 Eintrag

Verwenden1,2,6-Hexanetriol is used as moisturizing agent (cremes), as solvent (pharmaceuticals) and as crosslinker in plastics. It acts as wetting agent of tobacco and special hydraulic fluid. It is used in the production of alkyd resins, celluloid, polyurethane and synthetic rubber.