1-Methylcyclopropene
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Basic Info
| Common Name | 1-Methylcyclopropene(F05903) |
| 2D Structure | |
| FRCD ID | F05903 |
| CAS Number | 3100-04-7 |
| PubChem CID | 151080 |
| Formula | C4H6 |
| IUPAC Name | 1-methylcyclopropene |
| InChI Key | SHDPRTQPPWIEJG-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3 |
| Canonical SMILES | CC1=CC1 |
| Isomeric SMILES | CC1=CC1 |
| Synonyms |
1-Methylcyclopropene
3100-04-7
Cyclopropene, 1-methyl-
EthylBloc
SmartFresh
1-MCP
UNII-J6UJO23JGU
J6UJO23JGU
SHDPRTQPPWIEJG-UHFFFAOYSA-N
Cyclopropene, methyl-
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Hydrocarbons |
| Class | Unsaturated hydrocarbons |
| Subclass | Branched unsaturated hydrocarbons |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Branched unsaturated hydrocarbons |
| Alternative Parents | |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Branched unsaturated hydrocarbon - Cycloalkene - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Olefin - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 54.092 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Complexity | 51.1 |
| Monoisotopic Mass | 54.047 |
| Exact Mass | 54.047 |
| XLogP | 1 |
| Formal Charge | 0 |
| Heavy Atom Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9442 |
| Human Intestinal Absorption | HIA+ | 0.9966 |
| Caco-2 Permeability | Caco2+ | 0.7290 |
| P-glycoprotein Substrate | Non-substrate | 0.6607 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9061 |
| Non-inhibitor | 0.9725 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.8731 |
| Distribution | ||
| Subcellular localization | Lysosome | 0.6370 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8159 |
| CYP450 2D6 Substrate | Non-substrate | 0.8631 |
| CYP450 3A4 Substrate | Non-substrate | 0.7026 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.7241 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.9139 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9062 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.8793 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9695 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.7389 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9420 |
| Non-inhibitor | 0.9661 | |
| AMES Toxicity | Non AMES toxic | 0.8068 |
| Carcinogens | Carcinogens | 0.5206 |
| Fish Toxicity | High FHMT | 0.7732 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.6059 |
| Honey Bee Toxicity | High HBT | 0.8534 |
| Biodegradation | Ready biodegradable | 0.8124 |
| Acute Oral Toxicity | III | 0.6159 |
| Carcinogenicity (Three-class) | Warning | 0.5178 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -2.7253 | LogS |
| Caco-2 Permeability | 1.8433 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.0567 | LD50, mol/kg |
| Fish Toxicity | 0.4645 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | -0.4624 | pIGC50, ug/L |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Pecans (Hickory nuts,) | 0120080 | European Union | 0.02* | 16/08/2016 | |
| Pistachios | 0120100 | European Union | 0.02* | 16/08/2016 | |
| Walnuts | 0120110 | European Union | 0.02* | 16/08/2016 | |
| Others (2) | 0120990 | European Union | 0.02* | 16/08/2016 | |
| Pome fruits | 0130000 | European Union | 0.01* | 16/08/2016 | |
| Apples (Crab apples/wild apples, Tejocotes,) | 0130010 | European Union | 0.01* | 16/08/2016 | |
| Pears (Nashi pears/Oriental pears, Wild pears, Ya pears/Chinese white pears,) | 0130020 | European Union | 0.01* | 16/08/2016 | |
| Quinces (Chinese quinces, Japanese quinces,) | 0130030 | European Union | 0.01* | 16/08/2016 | |
| Medlars | 0130040 | European Union | 0.01* | 16/08/2016 | |
| Loquats/Japanese medlars | 0130050 | European Union | 0.01* | 16/08/2016 | |
| Others (2) | 0130990 | European Union | 0.01* | 16/08/2016 | |
| Stone fruits | 0140000 | European Union | 0.01* | 16/08/2016 | |
| Apricots (Japanese apricots/Umes, Nectacots,) | 0140010 | European Union | 0.01* | 16/08/2016 | |
| Cherries (sweet) (Black cherries, Capulins, Chokecherries, Cornelian cherries/European corniols, Nanking cherries, Sour cherries/morello cherries,) | 0140020 | European Union | 0.01* | 16/08/2016 | |
| Peaches (Flat peaches/saturn peaches/paraguayas, Nectarines, Other hybrids of Persica vulgaris; syn: Prunus persica, not elsewhere mentioned,) | 0140030 | European Union | 0.01* | 16/08/2016 | |
| Plums (American plums, Beach plums, Cherry plums /myrabolans, Chickasaw plums, Chinese jujubes/red dates/Chinese dates, Damsons/ bullaces, Gages/greengages/Reine Claudes, Japanese plums, Klamath pl... | 0140040 | European Union | 0.01* | 16/08/2016 | |
| Others (2) | 0140990 | European Union | 0.01* | 16/08/2016 | |
| Berries and small fruits | 0150000 | European Union | 0.01* | 16/08/2016 | |
| (a) grapes | 0151000 | European Union | 0.01* | 16/08/2016 | |
| Table grapes (Kiwiberries/dwarf kiwi (2), Schisandra berries,) | 0151010 | European Union | 0.01* | 16/08/2016 |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Patulin accumulation in apples under dynamic controlled atmosphere storage. | Food Chem | 2018 Jul 30 | 29571477 |
| Changes in cell wall pectins and their relation to postharvest mesocarp softeningof "Hass" avocados (Persea americana Mill.). | Plant Physiol Biochem | 2018 Jul | 29778838 |
| Multivariate Analysis of Fruit Antioxidant Activities of Blackberry Treated with 1-Methylcyclopropene or Vacuum Precooling. | Int J Anal Chem | 2018 Feb 1 | 29487622 |
| Effect of methyl salicylate in combination with 1-methylcyclopropene onpostharvest quality and decay caused by Botrytis cinerea in tomato fruit. | J Sci Food Agric | 2018 Aug | 29352462 |
| Dynamic controlled atmosphere (DCA): interaction between DCA methods and1-methylcyclopropene on 'Fuji Suprema' apple quality. | Food Chem | 2017 Nov 15 | 28554617 |
| Paper-based 1-MCP treatment suppresses cell wall metabolism and delays softening of Huanghua pears during storage. | J Sci Food Agric | 2017 Jun | 27706823 |
| Effect of ethylene and 1-methylcyclopropene on the postharvest behavior of capegooseberry fruits (Physalis peruviana L.). | Food Sci Technol Int | 2017 Jan | 27440155 |
| Ethylene Control Technologies in Extending Postharvest Shelf Life of Climacteric Fruit. | J Agric Food Chem | 2017 Aug 30 | 28767242 |
| Effect of 1-methylcyclopropene on the development of black mold disease and itspotential effect on alternariol and alternariol monomethyl ether biosynthesis on tomatoes infected with Alternaria alternata. | Int J Food Microbiol | 2016 Nov 7 | 27454782 |
| Novel insights of ethylene role in strawberry cell wall metabolism. | Plant Sci | 2016 Nov | 27717444 |
| Inhibiting ethylene perception with 1-methylcyclopropene triggers molecular responses aimed to cope with cell toxicity and increased respiration in citrus fruits. | Plant Physiol Biochem | 2016 Jun | 26990405 |
| Analysis of ethylene biosynthesis and perception during postharvest cold storage of Marsh and Star Ruby grapefruits. | Food Sci Technol Int | 2015 Oct | 25280937 |
| Effect of 1-methylcyclopropene on shelf life, visual quality and nutritionalquality of netted melon. | Food Sci Technol Int | 2015 Apr | 24495994 |
| Response of Pink Lady® apples to post-harvest application of 1-methylcyclopropeneas a function of applied dose, maturity at harvest, storage time and controlledatmosphere storage. | J Sci Food Agric | 2014 Oct | 24515399 |
| Maintaining quality and bioactive compounds of broccoli by combined treatmentwith 1-methylcyclopropene and 6-benzylaminopurine. | J Sci Food Agric | 2013 Mar 30 | 22936606 |
| 1-methylcyclopropene effects on temporal changes of aroma volatiles andphytochemicals of fresh-cut cantaloupe. | J Sci Food Agric | 2013 Mar 15 | 22821412 |
| Effects of 1-methylcyclopropene and post-controlled atmosphere air storagetreatments on fresh-cut Ambrosia apple slices. | J Sci Food Agric | 2013 Jan | 22674495 |
| Combination of 1-methylcyclopropene treatment and controlled atmosphere storageretains overall fruit quality and bioactive compounds in mango. | J Sci Food Agric | 2012 Mar 15 | 21969219 |
| Changes in quality and biochemical parameters in 'Idared' apples during prolongedshelf life and 1-MCP treatment. | Food Sci Technol Int | 2012 Dec | 23175783 |
| Proteomic analysis of differentially accumulated proteins during ripening and in response to 1-MCP in papaya fruit. | J Proteomics | 2012 Apr 3 | 22285629 |