Basic information
- CAS
502-50-1- Standard SMILES
O=C(O)CCC(=O)CCC(=O)O- InChIKey
UDDSEESQRGPVIL-UHFFFAOYSA-N- Molecular formula
- C7H10O5
- Average molar mass
- 174.15 g/mol
- Monoisotopic mass
- 174.05282342
Names & identifiers
- Preferred name
- 4-Oxopimelic acid
- IUPAC
- 4-oxoheptanedioic acid
- English name
- 4-Ketopimelic acid
- Molecular formula
- C7H10O5
- Molecular weight
- 174.15
Names & synonyms
4-Oxopimelic acidEINECS 207-941-8DTXSID40198238NSC 16642RefChem:526213DTXCID70120729207-941-84-Oxoheptanedioic acid502-50-14-Ketopimelic acid4-KetopimelicHeptanedioic acid, 4-oxo-
Show more names
4-Ketopimelic acid,98%4-KETOPIMELIC ACID 98%
MFCD00002798.gamma.-Ketopimelic acidPimelic acid, 4-keto-G-KETOPIMELIC ACIDKETOPIMELIC ACID, 4-(RG)Heptanedioic acid,4-oxo-4-Oxoheptanedioicacidgamma-Ketopimelic acid
Database identifiers
- CAS
502-50-1- PubChem CID
- 95084
- DTXSID
DTXSID40198238- EC Number
- 207-941-8
- Nikkaji
- J6.201D
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 142 · 142-144 °C (lit.)
- Boiling point
- 225.11 °C · 225.11°C (rough estimate)
- Density
- 1.2311 · 1.2311 (rough estimate)
- refractive index
- 1.44 · 1.4400 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Powder, Crystals and/or Chunks
- pka
- 4.34 · 4.34±0.17(Predicted)
- color
- White to yellow
- BRN
- 1708385 · 1708385
- InChI
- InChI=1S/C7H10O5/c8-5(1-3-6(9)10)2-4-7(11)12/h1-4H2,(H,9,10)(H,11,12)
- InChIKey
- UDDSEESQRGPVIL-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCC(=O)CCC(O)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
- 29183000
- 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
- P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers58 total
山东玖玥生物科技有限公司15553333686 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Related reactions
1 records
Compound notes
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