Polyglycerin-3
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Basic information
- CAS
20411-31-8- Standard SMILES
OCC(O)COCC(O)COCC(O)CO- InChIKey
AGNTUZCMJBTHOG-UHFFFAOYSA-N- Molecular formula
- C9H20O7
- Average molar mass
- 240.25 g/mol
Names & identifiers
- Preferred name
- Polyglycerin-3
- IUPAC
- 3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,2-diol
- English name
- TRIGLYCEROL
- Molecular formula
- C9H20O7
- Molecular weight
- 240.25
Names & synonyms
UNII-4A0NCJ6RD64A0NCJ6RD6EINECS 259-986-8TriglycerinPOLYGLYCEROL-3RefChem:8820POLYCAST-3POLYGLYCERIN 03PDTXSID80891933DTXCID401031448Triglycerol20411-31-8
Show more names
Triglycerol (≥60%)technicalgrade,80%Triglycerol, CAS 20411-31-8Triglycerol technical, >=60% (HPLC)4,8-Dioxaundecane-1,2,6,10,11-pentol3,3'-(2-Hydroxytrimethylenebisoxy)bis(1,2-propanediol)3,3'-[(2-Hydroxytrimethylene)bisoxy]bis(propane-1,2-diol)3,3'-(2-Hydroxy-1,3-propanediyl)bisoxybis(1,2-propanediol)
56090-54-13-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,2-diol3-[3-(2,3-dihydroxypropoxy)-2-hydroxy-propoxy]propane-1,2-diol1,3-Bis(2,3-dihydroxypropyl)-2-propanolTriglycerol(mix)|A|A-Triglycerol1,2-Propanediol, 3,3'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis-SCHEMBL821029
Database identifiers
- CAS
20411-31-8、56090-54-1- PubChem CID
- 92007
- EC Number
- 259-986-8、683-396-3
- Nikkaji
- J367.419C
Properties
Computed structural propertiesFilling in
- XLogP
- -3.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Polyglycerin-3) -> CIR (Cosmetic Ingredient Review)
Humectant
Physicochemical properties
- Boiling point
- 492.9 · 492.9±45.0 °C(Predicted)
- Density
- 1.3 g/mL · 1.30 g/mL at 20 °C (lit.)
- pka
- 13.31 · 13.31±0.20(Predicted)
- BRN
- 1724207 · 1724207
- InChI
- 1S/C9H20O7/c10-1-7(12)3-15-5-9(14)6-16-4-8(13)2-11/h7-14H,1-6H2
- InChIKey
- AGNTUZCMJBTHOG-UHFFFAOYSA-N
- SMILES
- OCC(O)COCC(O)COCC(O)CO
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
Warning
H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 100% (36 of 36) of all reports.
Not Classified
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Triglycerol: 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.
EPA Safer ChemicalChemical: Triglycerol
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Not 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
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Polyglycerin-3
Household ProductsInformation on 2 consumer products that contain Polyglycerin-3 in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives;Skin Conditioning Agents
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
Cosmetics -> Humectant
General Manufacturing InformationTriglycerol: ACTIVE
Applications
UsesTriglycerol is used to enhance the chromatographic behavior of the pesticides in tea matrices. It is also used to prepare (poly)glycerol monoethers.
UsesTriglycerol was used in the synthesis of (poly)glycerol monoethers. It was also used to enhance the chromatographic behavior of the pesticides in tea matrices.
Related reactions
1 records
Compound notes
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