Basic information
- CAS
3641-51-8- Standard SMILES
C[C@H](CC(=O)O)C(=O)O- InChIKey
WXUAQHNMJWJLTG-GSVOUGTGSA-N- Molecular formula
- C5H8O4
- Average molar mass
- 132.11 g/mol
- Monoisotopic mass
- 132.04225874
Overview
(R)-methylsuccinic acid is a 2-methylbutanedioic acid in which the methyl group at position 2 has R-configuration. It is an enantiomer of a (S)-methylsuccinic acid.
Names & identifiers
- Preferred name
- (R)-(+)-Methylsuccinic Acid
- IUPAC
- (2R)-2-methylbutanedioic acid
- English name
- (R)-(+)-Methylsuccinic acid
- Molecular formula
- C5H8O4
- Molecular weight
- 132.11
Names & synonyms
(R)-(+)-Methylsuccinic acid(+)-Methylsuccinic acidRefChem:406995626-004-83641-51-8(r)-2-methylsuccinic acid(2R)-2-methylbutanedioic acid(R)-(+)-Pyrotartaric Acid(R)-methylsuccinic acidd-Methylsuccinic acidMFCD00209602Butanedioic acid, methyl-, (R)-
Show more names
(2R)-2-methylsuccinic acid(R)-(+)-MethylsuccinicAcid>(R)-(+)-METHYLSUCCINIC ACID 98%Butanedioic acid, 2-methyl-, (2R)-
Butanedioic acid, methyl-, (2R)-(R)-2-methylbutanedioic acid(r)-2-methylsuccinicacidd-MethylbernsteinsA currencyureSCHEMBL2599566CHEBI:91317DTXSID70189937WXUAQHNMJWJLTG-GSVOUGTGSA-N
Database identifiers
- CAS
3641-51-8- PubChem CID
- 77983
- DTXSID
DTXSID70189937- ChEBI
CHEBI:91317- EC Number
- 626-004-8
- Nikkaji
- J84.154D
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 129
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 110 · 110-115 °C (lit.)
- alpha
- 8 · 8 º (c=5, H2O)
- Boiling point
- 236.5 · 236.5±13.0 °C(Predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- refractive index
- 15.5 ° · 15.5 ° (C=2, EtOH)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 4.56 · 4.56±0.19(Predicted)
- color
- White to Almost white
- optical activity
- 25 · [α]25/D +8.0°, c = 5 in H2O
- InChI
- 1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m1/s1
- InChIKey
- WXUAQHNMJWJLTG-GSVOUGTGSA-N
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2917198090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers49 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Aladdin Scientific[email protected]
北京颖诺凯胜科技有限公司010-56541685 13070143590 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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