DL-Hexan-1,2-diol
1,2-Hexanediol
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Grundinformationen
- CAS
6920-22-5- Standard-SMILES
CCCCC(O)CO- InChIKey
FHKSXSQHXQEMOK-UHFFFAOYSA-N- Summenformel
- C6H14O2
- Durchschnittliche Molmasse
- 118,17 g/mol
- Monoisotopische Masse
- 118,09937969
Überblick
See also: ANUBISMED (FDA NDC: 83021-750) (component of); Anubis Barcelona (FDA NDC: 83021-877) (component of) ... View More ...
Namen und Bezeichner
- Bevorzugter Name
- 1,2-Hexanediol
- IUPAC
- hexane-1,2-diol
- Lokaler Name
- DL-Hexan-1,2-diol
- Englischer Name
- 1,2-Hexanediol
- Summenformel
- C6H14O2
- Molmasse
- 118.17
Namen und Synonyme
1,2-Hexanediol6920-22-5DL-1,2-Hexanediol1,2-Dihydroxyhexane5,6-DihydroxyhexaneTR046Y3K1GDTXSID40863959RefChem:412076DTXCID80812527230-029-6hexane-1,2-dioldl-hexane-1,2-diol
Weitere Namen anzeigen
HDODL-1PRO172UNQ146
MFCD000107371,2-Hexylene GlycolUNII-TR046Y3K1G(+/-)-Hexane-1,2-diol; 1,2-Dihydroxyhexane; 1,2-Hexyleneglycol; 5,6-Dihydroxyhexane; DL-1,2-Hexanediol; KMO 61,2-hexyleneglycolEINECS 230-029-6AI3-13210(2R)-1,2-Hexanediol
Datenbank-Bezeichner
- CAS
6920-22-5- PubChem CID
- 94335
- DTXSID
DTXSID40863959- UNII
- TR046Y3K1G
- EC Number
- 230-029-6
- Nikkaji
- J101.042E
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 45,8
Experimentelle und physikochemische Eigenschaften
PolymersOther Classes -> Alcohols and Polyols, Other
CosmeticsCosmetic ingredients (1,2-Hexanediol) -> CIR (Cosmetic Ingredient Review)
FragrancesFragrance Ingredient (1,2-Hexanediol) -> IFRA transparency List
Physical Description
Liquid
Light yellow liquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 45 °C · 45°C
- Siedepunkt
- 223 · 223-224 °C (lit.)
- Dichte
- 0.951 g/mL · 0.951 g/mL at 25 °C (lit.)
- Dampfdruck
- 0.576 Pa · 0.576Pa at 25℃
- Brechungsindex
- 20 · n20/D 1.442(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
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 16.7% (78 of 466) of reports.
Warning
H315 (20.4%): 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 466 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1,2-Hexanediol
1,2-Hexanediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Hexanediol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 28-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11614
1,2-Hexanediol: 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.
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryAn eye irritant; [ECHA REACH Registrations] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See 2,5-Hexanediol and 1,6-Hexanediol.
EPA Safer ChemicalChemical: 1,2-Hexanediol
Hazard Classes and CategoriesSkin Irrit. 2 (20.4%)
Chemie und Industrie
Verwendung und Herstellung
Uses
CIR ingredient: 1,2-Hexanediol
Used to formulate cosmetics, personal care products, pharmaceuticals, inks and toners, perfumes, and fragrances; [ECHA REACH Registrations]
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesOther
Industry UsesIntermediates
Household ProductsInformation on 19 consumer products that contain 1,2-Hexanediol in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Fragrance Ingredients
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,2-Hexanediol: ACTIVE
Anwendungen
Beschreibung1,2-Hexanediol is a linear aliphatic diol with a carbon chain length containing six carbons. It is a synthetic preservative and moisture-binding agent belonging to a class of agents known as higher molecular glycols. It is considered non-sensitizing. It is ideal for use as an emollient, humectant, and wetting agent in cosmetic and skin care products.
Darstellung
synthetische1,2-Hexanediol was synthesized with an overall yield of approximately 45% using a multi-step process that involved a-bromination of caproic acid, followed by hydrolysis to a-hydroxycaproic acid, and concluded with reduction using lithium aluminum hydride. In an alternate method, the organic acid was oxidized with H2O2 to form a peroxy acid, which in turn epoxidized the olefin double bond and ultimately underwent hydrolysis to yield 1,2-hexanediol.SYNTHESIS OF SOME HEXANEDIOLS
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