Grundinformationen
- CAS
5343-92-0- Standard-SMILES
CCCC(O)CO- InChIKey
WCVRQHFDJLLWFE-UHFFFAOYSA-N- Summenformel
- C5H12O2
- Durchschnittliche Molmasse
- 104,15 g/mol
- Monoisotopische Masse
- 104,08372962
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 1,2-Pentanediol
- IUPAC
- pentane-1,2-diol
- Lokaler Name
- Pentan-1,2-diol
- Englischer Name
- 1,2-Pentanediol
- Summenformel
- C5H12O2
- Molmasse
- 104.15
Namen und Synonyme
1,2-Pentanediol5343-92-0Pentylene glycol1,2-Dihydroxypentane50C1307PZGDTXSID10863522NSC-513RefChem:860099DTXCID80812123226-285-3Pentane-1,2-diolMFCD00010736
Weitere Namen anzeigen
PTD1,2-Pentanediol,97%Pentanediol,98%1,2-Pentanediol TDS free sample MSDS2-Pentanediol1,2-Pentanedi1,2 PentandiolPENTANDIOL-1,2
1,a2-aPentanediolUNII-50C1307PZGNSC 513(R)-1,2-Pentanediol1,2-Pentanediol,(2S)-WCVRQHFDJLLWFE-UHFFFAOYSA-EC 226-285-3PENTYLENE GLYCOL [WHO-DD]
Datenbank-Bezeichner
- CAS
5343-92-0- PubChem CID
- 93000
- DTXSID
DTXSID10863522- UNII
- 50C1307PZG
- EC Number
- 226-285-3
- Nikkaji
- J112.123E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 37,1
Experimentelle und physikochemische Eigenschaften
PolymersOther Classes -> Alcohols and Polyols, Other
CosmeticsCosmetic ingredients (Pentylene Glycol) -> CIR (Cosmetic Ingredient Review)
FragrancesFragrance Ingredient (1,_2-_Pentanediol) -> IFRA transparency List
Physical Description
Liquid
Yellow hygroscopic liquid; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 50.86 °C · 50.86°C (estimate)
- Siedepunkt
- 206 °C · 206 °C (lit.)
- Dichte
- 0.971 g/mL · 0.971 g/mL at 25 °C (lit.)
- Dampfdruck
- 1.5 Pa · 1.5Pa at 20℃
- Brechungsindex
- 20 · n20/D 1.439(lit.)
- Flammpunkt
- 104 °C · 104 °C
- storage temp.
- Keep in dark place,Sealed in dry,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 6.5% (62 of 958) of reports.
Danger
H304 (46.8%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P264+P265, P280, P301+P316, P305+P354+P338, P317, P331, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 958 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-Pentanediol
1,2-Pentanediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Pentanediol 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Pentane-1,2-diol (EC: 226-285-3)
1,2-Pentanediol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards Summary
Causes somnolence, excitement, and muscle weakness in oral lethal-dose studies of guinea pigs, mice, rabbits, and rats; [RTECS] May cause serious eye injury; [ECHA REACH Registrations] May cause irritation; [Acros Organics MSDS] See 3-Pentanol.
EPA Safer ChemicalChemical: Pentylene glycol
Hazard Classes and Categories
Chemie und Industrie
Verwendung und Herstellung
Uses
CIR ingredient: Pentylene Glycol
Used to make fine chemicals, in industrial and professional cleaning and maintenance products, and in consumer washing and cleaning products, air care products, polishes and wax blends, inks and toners, and cosmetics and personal care products; [ECHA REACH Registrations]
U.S. Production2023: 550,000 - <1,000,000 lb
Industry UsesOther
Household ProductsInformation on 32 consumer products that contain Pentylene Glycol 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
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
1,2-Pentanediol: ACTIVE
Anwendungen
Beschreibung1,2-Pentanediol, also known as 1,2-dihydroxypentane, is a colorless and odorless liquid which is miscible with water and polar organic solvents. It is a chiral molecule with one stereocenter. The compound is usually made by treating a mixture of 1-pentene and formic acid with hydrogen peroxide at<100 ℃. An optically active R-enantiomer of 1,2-pentanediol can be prepared by fermentation.
Verwenden1,2-Pentanediol is used in synthesizing quinoxalines from biomass-derived glycols. Also used in the synthesis of propiconazole (P770100) a fungicide as well as other antifungals.
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