Basic information
- CAS
127277-53-6- Standard SMILES
CCC([O-])=C1C(=O)CC(C(=O)O)CC1=O.CCC([O-])=C1C(=O)CC(C(=O)O)CC1=O.[Ca+2]- InChIKey
FVMOEFABYNPCDS-UHFFFAOYSA-L- Molecular formula
- C20H22CaO10
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.0838877
Overview
Prohexadione-calcium is a plant growth regulator that inhibits gibberellin metabolism. It is frequently used as a growth-retardant compound for apples. Prohexidione-calcium is known to reduce terminal growth by inhibiting 2-oxoglutarate-dependent dioxygenases, which are involved in the formation of growth-specific gibberellins (e.g., the conversion of GA20 to GA1), a group of plant hormones that are primarily responsible for regulation of shoot elongation in apple trees. In addition, it is also known that prohexadione-calcium interferes with ethylene biosynthesis and flavonoid metabolism, which can influence other responses in the plant.
Names & identifiers
- Preferred name
- Prohexadione-Calcium
- IUPAC
- calcium bis(1-(4-carboxy-2,6-dioxocyclohexylidene)propan-1-olate)
- English name
- Prohexadione calcium
- Molecular formula
- C10H13Ca2O5+
- Molecular weight
- 293.36
Names & synonyms
ApogeeProhexadione-CalciumProhexadione-calcium [ISO]BAS 125WBAS 125KIM-112KUH-833Cyclohexanecarboxylic acid, 3,5-dioxo-4-(1-oxopropyl)-, ion(1-), calcium, calcium saltU279R462WBHSDB 7252BX 112UNII-U279R462WB
Show more names
3,5-dioxo-4-propionylcy-clohexanecarboxylic scidbx112VIVIFUL
Calcium 3-oxido-5-oxo-4-propionylcyclohex-3-enecarboxylate (IUPAC)3,5-Dioxo-4-(1-oxopropyl)cyclohexanecarboxylic acid ion(1-) calcium, calcium saltSCHEMBL29361530
Database identifiers
- CAS
127277-53-6- PubChem CID
- 86384
Properties
Computed structural properties
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 360 ° · >360°
- storage temp.
- 0 · 0-6°C
- form
- Solid
- color
- Off-white to light yellow
- Henry's Law Constant
- 5.2 · 5.2×104 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- Major Application
- agricultureenvironmental
- InChI
- InChI=1S/C10H11O5.2Ca.2H/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;;;;/h5H,2-4H2,1H3,(H,14,15);;;;/q-1;;+2;;
- InChIKey
- MRNFLMSOYSDUNU-UHFFFAOYSA-N
- SMILES
- C([C-]1C(CC(C(=O)O)CC1=O)=O)(=O)CC.[Ca+2].[Ca]
- FDA UNII
- 279 R462WB · U279R462WB
- Pesticides Freedom of Information Act (FOIA)
- Prohexadione calcium
- EPA Substance Registry System
- Prohexadione calcium (127277-53-6)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411-H412
- Precautionary statements
- 273 · P273-P501
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 2 · 2
- RTECS
- 8488500 · GU8488500
- Storage Class
- 11 · 11 - Combustible Solids
- Hazardous Substances Data
- 127277 · 127277-53-6(Hazardous Substances Data)
- Toxicity
- 50 in · LD50 in rats (mg/kg): >5000 orally; >2000 dermally; LC50 in carp, bluegill sunfish, rainbow trout (mg/l): >150, >100, >100 (Miyazawa)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- rtecs
- GU8488500
- Toxicity
- LD50 in rats (mg/kg): >5000 orally; >2000 dermally; LC50 in carp, bluegill sunfish, rainbow trout (mg/l): >150, >100, >100 (Miyazawa)
- Symbol(GHS)
- GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H411-H412
- Precautionary statements
- P273-P501
- Hazardous Substances Data
- 127277-53-6(Hazardous Substances Data)
Chemistry & industry
Applications
DescriptionProhexadione-Calcium (Pro-Ca, prohexadione-Ca or BX-112) is a plant growth retardant which is used to inhibit gibberellin biosynthesis of plants. It generally reduces shoot elongation in plants.
UsesProhexadione Calcium is a plant growth regulator.
UsesProhexadione calcium is plant growth regulator.
Suppliers100 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
江西瑞威尔生物科技有限公司400-880-2824 18107960669 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [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]
Hebei Qige Biological Technology Co. Ltd+86 +8618733132031
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
武汉欣扬瑞和化学科技有限公司027-83855316 18171155316 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
武汉普洛夫生物科技有限公司17612776928 · [email protected]
Hubei Datong Bio-Chemical Technology Co.,Ltd027-87666700 · [email protected]
湖北薪和化工有限公司027-83258456 15392830626 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
北京汤普森生物科技有限公司+86-13439059536 +86-15201677815 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [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]
石家庄通洋进出口有限公司[email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
湖北威德利化学试剂有限公司18327179646 · [email protected]
湖北玖丰隆化工有限公司13277936479 · [email protected]
湖南道林生物科技有限公司18974846212 · [email protected]
武汉鑫儒化工有限公司15927387915 15337108568 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
成都大道三灵生物科技有限公司18108108965 18108108965 · [email protected]
南京择优新材料科技有限公司173-40521416 17340521416 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
湖北威德利化学试剂有限公司13429867250 13429867250 · [email protected]
湖北威德利化学试剂有限公司027-83778876; 13667159345 · [email protected]
湖北威德利化学试剂有限公司17771478861 13419635609 · [email protected]
广州卡芬生物科技有限公司18029243487 2355327168 · [email protected]
BOC Sciences[email protected]
威尔曼医药集团有限公司15807197853 18971451745 · [email protected]
成都塞欧斯医药科技有限公司028-64971018 18108168130
山东小野化学股份有限公司0539-6362799 20）
武汉弘德悦欣医药科技有限公司027-83850116 18164090116 · [email protected]
Additional notes
DefinitionChEBI: Prohexadione-calcium is a calcium salt containing equal numbers of prohexadione(2-) and Ca(2+) ions. A plant growth regulator, it is used as an anti-lodging agent in small-grain cereals. It has a role as a plant growth regulator, an agrochemical and a gibberellin biosynthesis inhibitor. It contains a prohexadione(2-).
Related reactions
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Compound notes
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