Butane-1,2,3,4-Tetrol
Basic information
- CAS
149-32-6- Standard SMILES
OCC(O)C(O)CO- InChIKey
UNXHWFMMPAWVPI-UHFFFAOYSA-N- Molecular formula
- C4H10O4
- Average molar mass
- 122.12 g/mol
- Monoisotopic mass
- 122.0579088
Overview
Butane-1,2,3,4-tetrol is a tetritol that is butane substituted by hydroxy groups at positions 1, 2, 3 and 4.
Names & identifiers
- Preferred name
- Butane-1,2,3,4-Tetrol
- IUPAC
- butane-1,2,3,4-tetrol
- English name
- DL-THREITOL
- Molecular formula
- C4H10O4
- Molecular weight
- 122.12
Names & synonyms
Butane-1,2,3,4-tetrol7541-59-5CHEBI:48299DTXSID70859289RefChem:122006GlyTouCan:G86724BODTXCID30209867G86724BO231-418-3Tetritol6968-16-7DL-1,2,3,4-Butanetetrol
Show more names
Nsc20660DL-THREITOL
1,2,3,4-Butanetetrolbutane-1,2,3,4-tetraol1,2,3,4-TetrahydroxybutaneErythritol, meso-2(R),3(S)-1,2,3,4-Butanetetrol1,2,3,4-butanetetraol1,2,3,4-Butanetetrol, [S-(R*,R*)]-1,2,3,4-Butanetetrol, (theta,S)-
Database identifiers
- CAS
149-32-6、6968-16-7、7493-90-5、7541-59-5- PubChem CID
- 8998
- DTXSID
DTXSID70859289- ChEMBL
CHEMBL402812- ChEBI
CHEBI:48299- EC Number
- 231-418-3、626-535-5
- Nikkaji
- J307.870A
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 48
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
CosmeticsHumectant; Moisturising
SpringerMaterials PropertiesCrystal structure
Physical DescriptionWhite crystalline solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 90 °C · 90°C
- Boiling point
- 147.51 °C · 147.51°C (rough estimate)
- Density
- 1.0151 · 1.0151 (rough estimate)
- refractive index
- 1.4502 · 1.4502 (estimate)
- Water Solubility
- 898 g/L · 898g/L(25 ºC)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
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% (3 of 3) of all reports.
Not Classified
Hazard information
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Not Classified
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Humectant; Moisturising
Applications
UsesDL-Threitol is a sugar molecule and is usedul in the synthesis of pharmaceuticals. A diastereomer of erythritol. Cryoprotectant.
Additional notes
DefinitionChEBI: Butane-1,2,3,4-tetrol is a tetritol that is butane substituted by hydroxy groups at positions 1, 2, 3 and 4.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…