Basic information
- CAS
87-92-3- Standard SMILES
CCCCOC(=O)[C@H](O)[C@@H](O)C(=O)OCCCC- InChIKey
PCYQQSKDZQTOQG-NXEZZACHSA-N- Molecular formula
- C12H22O6
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.14163842
Names & identifiers
- Preferred name
- (+)-Dibutyl tartrate
- IUPAC
- dibutyl (2R,3R)-2,3-dihydroxybutanedioate
- English name
- L-(+)-Tartaric acid di-n-butyl ester
- Molecular formula
- C12H22O6
- Molecular weight
- 262.3
Names & synonyms
87-92-3DIBUTYL TARTRATE(+)-dibutyl tartrate2D1V32IF1ERefChem:586532201-784-9(2R,3R)-Dibutyl 2,3-dihydroxysuccinateDibutyl L-tartrateDibutyl L-(+)-Tartrate15763-01-6dibutyl (2R,3R)-2,3-dihydroxybutanedioateL-(+)-Tartaric Acid Dibutyl Ester
Show more names
AI300396AI3 00396AI3-00396N-BUTYL TARTRATE(R,R)-dibutyltartrateDibutyl(R,R)-tartrateL-(+)-DIBUTYL TARTRATEDibutyl L-tartrate,98%(2R,3R)-Dibutyltartrate
Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, dibutyl esterDibutyl tartrate, (+)-Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-dibutyl esterMFCD00009443(2r,3r)-di-n-butyl tartrate1,4-dibutyl (2R,3R)-2,3-dihydroxybutanedioateL-(+)-Tartaric acid di-n-butyl esterUNII-2D1V32IF1E
Database identifiers
- CAS
87-92-3- PubChem CID
- 6910
- DTXSID
DTXSID10883265- UNII
- 2D1V32IF1E
- EC Number
- 201-784-9
- Nikkaji
- J148.056A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesDielectric constant
Physical DescriptionMelting point = 22 deg C; [ChemIDplus] Clear colorless liquid; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 20 · 20-22 °C
- Boiling point
- 182 °C · 182 °C (11 mmHg)
- Density
- 1.09 · 1.09
- refractive index
- 1.446 · 1.446-1.448
- Flash point
- 167 °C · 167 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- pka
- 11.42 · 11.42±0.20(Predicted)
- color
- Clear Colorless
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, dibutyl ester
Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, dibutyl ester: 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.
Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Safety data
- tsca
- TSCA listed
- hs_code
- 29181300
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-dibutyl ester: ACTIVE
Applications
UsesL-(+)-TARTARIC ACID DI-N-BUTYL ESTER is used as resolving agent
Preparation methods
PreparationBy direct esterification of n-Butanol with Tartaric acid under azeotropic conditions.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers42 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…