1,2-Decanediol
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Basic information
- CAS
1119-86-4- Standard SMILES
CCCCCCCCC(O)CO- InChIKey
YSRSBDQINUMTIF-UHFFFAOYSA-N- Molecular formula
- C10H22O2
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.16197994
Overview
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.
Names & identifiers
- Preferred name
- 1,2-Decanediol
- IUPAC
- decane-1,2-diol
- English name
- 1,2-Decanediol
- Molecular formula
- C10H22O2
- Molecular weight
- 174.28
Names & synonyms
1,2-Decanediol1119-86-4Decane-1,2-diolDecylene glycol1,2-DihydroxydecaneSYMCLARIOLS57M60MI88NSC-28662SYMCLARIOL 344028CHEBI:143858DTXSID601009388RefChem:71770
Show more names
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
Database identifiers
- CAS
1119-86-4- PubChem CID
- 79141
- DTXSID
DTXSID601009388- ChEBI
CHEBI:143858- UNII
- S57M60MI88
- EC Number
- 214-288-2
- Nikkaji
- J80.156I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 83.9
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
CosmeticsCosmetic ingredients (Decylene Glycol) -> CIR (Cosmetic Ingredient Review)
Physical DescriptionHygroscopic solid; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 48 · 48-50 °C (lit.)
- Boiling point
- 255 °C · 255 °C (lit.)
- Density
- 0.9418 · 0.9418 (rough estimate)
- vapor pressure
- 0.004 Pa · 0.004Pa at 20℃
- refractive index
- 1.4561 · 1.4561 (estimate)
- Flash point
- 113 °C · 113 °C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 14.48 · 14.48±0.20(Predicted)
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 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.
Hazard information
Regulatory Information
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%)
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- hs_code
- 29053995
- Signal word
- Danger
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Decylene Glycol
Household ProductsInformation on 5 consumer products that contain Decylene Glycol in the following categories is provided:
Applications
Uses1,2-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.
Additional notes
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.
Related reactions
10 records
Compound notes
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