1,10-Decanediol
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Basic information
- CAS
112-47-0- Standard SMILES
OCCCCCCCCCCO- InChIKey
FOTKYAAJKYLFFN-UHFFFAOYSA-N- Molecular formula
- C10H22O2
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.16197994
Overview
1,10-decanediol has been reported in Perilla frutescens with data available.
Names & identifiers
- Preferred name
- 1,10-Decanediol
- IUPAC
- decane-1,10-diol
- English name
- 1,10-Decanediol
- Molecular formula
- C10H22O2
- Molecular weight
- 174.28
Names & synonyms
1,10-Decanediol112-47-0Decamethylene glycolDecamethylenediol1,10-Dihydroxydecane1,10-Decamethylenediolalpha,omega-Decanediol5I577UDK52NSC-17165SPEZIOL C 10/2DTXSID3059420RefChem:71143
Show more names
DecanediolNSC406706NSC 406706NSC-406706Cetanediol10-Decanediol1,10-Decadiol1,10-Decandiol1, 10 - decane
DTXCID4033261203-975-2Decane-1,10-diol1,10-Decamethylene diol1,6-Bis(2-hydroxyethyl)hexane.alpha.,.omega.-DecanediolNSC 17165MFCD00004749
Database identifiers
- CAS
112-47-0- PubChem CID
- 37153
- DTXSID
DTXSID3059420- UNII
- 5I577UDK52
- EC Number
- 203-975-2
- Nikkaji
- J10.105B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 64.2
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
CosmeticsCosmetic ingredients (1,10-Decanediol) -> CIR (Cosmetic Ingredient Review)
SpringerMaterials PropertiesDensity
Physical Description
Liquid
Solid; [Merck Index] White solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 70 · 70-73 °C
- Boiling point
- 297 °C · 297 °C
- Density
- 1 · 1,08 g/cm3
- bulk density
- 550 kg/m3 · 550kg/m3
- vapor pressure
- 0.1 hPa · <0.1 hPa (20 °C)
- refractive index
- 1.4603 · 1.4603 (estimate)
- Flash point
- 152 °C · 152 °C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 99.3% (148 of 149) of all reports.
Not Classified
Aggregated GHS information provided per 149 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,10-Decanediol
1,10-Decanediol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,10-Decanediol 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: 20-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19334
1,10-Decanediol: 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 SummaryIntraperitoneal lethal-dose (mouse) > 500 mg/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See 1-Decanol.
Hazard Classes and CategoriesNot Classified
Toxicology
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
Safety data
Chemistry & industry
Uses & manufacturing
Uses
CIR ingredient: 1,10-Decanediol
Used as an intermediate in organic synthesis; [ExPub: EPA - TSCATS]
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,10-Decanediol: ACTIVE
Applications
Uses1,10-Decanediol is an minor intermediate in the production of polyesters. It also used in essence, perfumes and in pharmaceuticals. The diacrylate is hydrophobic and used for flexible dental materials, radiation curable coatings, and for lenses.
Preparation methods
Preparation1,10-Decanediol is produced from sebacic acid by a hydrogenation process analogous to that described for 1,6-hexanediol.
Upstream & downstream products
Upstream raw materials
Related reactions
35 records
Compound notes
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