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Basic information
- CAS
99-32-1- Standard SMILES
O=C(O)c1cc(=O)cc(C(=O)O)o1- InChIKey
PBAYDYUZOSNJGU-UHFFFAOYSA-N- Molecular formula
- C7H4O6
- Average molar mass
- 184.1 g/mol
- Monoisotopic mass
- 184.00078785
Overview
Chelidonic acid is a member of pyrans and a carbonyl compound.
Names & identifiers
- Preferred name
- Chelidonic acid
- IUPAC
- 4-oxopyran-2,6-dicarboxylic acid
- English name
- Chelidonic acid
- Molecular formula
- C7H4O6
- Molecular weight
- 184.1
Names & synonyms
Chelidonic acid99-32-14-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACIDJervaic acidJervasic acidJerva acid4-oxopyran-2,6-dicarboxylic acid4H-Pyran-2,6-dicarboxylic acid, 4-oxo-gamma-Pyrone-2,6-dicarboxylic acidT33U4W5K6ONSC-3979DTXSID30243928
Show more names
AI3-19253γ-Pyrone-2jervaicacidcompoundxi*AKOS AUF02028Baiqu Cai Acid
RefChem:32280DTXCID60166419202-749-0Compound XI*2,6-Dicarboxyl-4-pyroneMFCD00006577C7H4O6NSC 3979
Database identifiers
- CAS
99-32-1- PubChem CID
- 7431
- DTXSID
DTXSID30243928- ChEBI
CHEBI:3586- UNII
- T33U4W5K6O
- EC Number
- 202-749-0
- Nikkaji
- J4.968I
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 265 °C · 265 °C (dec.) (lit.)
- Boiling point
- 238.02 °C · 238.02°C (rough estimate)
- Density
- 1.488 · 1.4880 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- 1 mg/ml; · DMSO: 1 mg/ml; DMSO:PBS (pH 7.2) (1:6): 0.14 mg/ml
- form
- Solid
- pka
- 1.26 · 1.26±0.40(Predicted)
- color
- Gray to brown
- Water Solubility
- 14.3 g/L · 14.3g/L(25 ºC)
- Merck
- 13 · 13,2060
- BRN
- 163607 · 163607
- InChI
- 1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)
- InChIKey
- PBAYDYUZOSNJGU-UHFFFAOYSA-N
- SMILES
- OC(=O)C1=CC(=O)C=C(O1)C(O)=O
- LogP
- -0.746 · -0.746 (est)
- CAS DataBase Reference
- 99 · 99-32-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 33 U4W5K6O · T33U4W5K6O
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 7350000 · UP7350000
- HS Code
- 29329990 · 29329990
- Storage Class
- 11 · 11 - Combustible Solids
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
This chemical does not meet GHS hazard criteria for 4.9% (2 of 41) of reports.
Warning
H315 (95.1%): 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 41 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 (95.1%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- UP7350000
- hs_code
- 29329990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesChelidonic acid is suitable for use a in homogeneous preparation of native dihydrodipicolinate synthase from pea. It may be used as endocyclic oxygen-containing ligand in the synthesis of aqua[bis(2-pyridylmethyl)amine][chelidonato(1.5-)]-copper(II) chelidonate(0.5-) monohydrate.
General DescriptionChelidonic acid (CA) is a γ-pyrone. It is reported as constituent of the rhizome of Chelidonium majus L. It has many pharmacological effects, such as mild analgesic and antimicrobial effects. Therapeutic potential of CA for the treatment of intestinal inflammation has been investigated. CA is reported as inhibitor of the rat brain glutamate decarboxylase. Biosynthesis of CA in cell suspension cultures of Leucojum aestivum has been studied.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
青岛融合融化学科技有限公司15224422002 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Syntechem Co.,Ltd[email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
江苏弘和药物研发有限公司5108538618 · [email protected]
南京宇山万方生物科技有限公司18014482516 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
北京上草生物科技有限公司51288246 13366708252 · [email protected]
ChemeGen 中国18818260767 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
郑州萃智医药科技有限公司19943855286 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
南京百鑫德诺生物科技有限公司025-58849295 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海药克生物科技有限公司19943855286 · [email protected]
Additional notes
DefinitionChEBI: Chelidonic acid is a carbonyl compound and a member of pyrans.
Related reactions
5 records
Compound notes
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