Molinate
Also known as Ordram, S-Ethyl azepane-1-carbothioate, Jalan
Key facts
What buyers check first
- Appearance
- Clear liquid
- Boiling point
- 136.5 °C
- Density
- 1.063 g/ml @ 20 °C
- Flash point
- 139 °C
- Solubility
- In water, 970 mg/l @ 25 °C
- HS code
- 293399
- Category
- Herbicides
- UN number
- UN 2902

What is Molinate?
Plain description, key identifiers and synonyms
Molinate is a member of the class of azepanes that is azepane in which the nitrogen is substituted by an (ethylsulfanyl)carbonyl group, -C(=O)SEt. A thiocarbamate herbicide not approved for use in the U.S. or European Union, it is used control grass weeds in rice paddies. It has a role as an antispermatogenic agent, a herbicide and an agrochemical. It is a monothiocarbamic ester and a member of azepanes.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- S-ethyl azepane-1-carbothioate
- CAS number
- 2212-67-1 CAS number cross-checked
- EC number
- 218-661-0
- Molecular formula
- C9H17NOS
- UNII
- 68N5G08DJQ
- MDL number
- MFCD00055352
- InChIKey
- DEDOPGXGGQYYMW-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
- SMILES (canonical and isomeric)
- CCSC(=O)N1CCCCCC1
Synonyms
- Ordram
- S-Ethyl azepane-1-carbothioate
- Jalan
- Yalan
- Yulan
- Felan
- Hydram
- Higalnate
- Molmate
- Sakkimol
- S-Ethyl hexahydro-1H-azepine-1-carbothioate
- Molinate estrella
- Stauffer R-4,572
- Ethyl 1-hexamethyleneiminecarbothiolate
- S-Ethyl N,N-hexamethylenethiocarbamate
- S-Ethyl hexahydroazepine-1-carbothioate
- Malerbane Giavoni L
- 1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester
- S-Ethyl-N-hexamethylenethiocarbamate
- S-Ethyl 1-hexamethyleneiminothiocarbamate
- Perhydroazepin-1-carbothioate
- S-Ethyl perhydroazepine-1-thiocarboxylate
- SC 998
- S-Ethyl perhydroazepin-1-carbothioate
- S-Ethyl-N,N-hexamethylenethiocarbamate
Show all 32 synonymsShow fewer synonyms
- S-Aethyl-N-hexahydro-1H-azepinthiolcarbamat
- S-ethyl 1-hexamethylenaminothiocarbamate
- hexahydro-1H-azepine-1-carbothioic acid S-ethyl ester
- S-ethyl 1-hexamethylenamino-thiocarbamate
- azepan-1-yl(ethylsulfanyl)methanone
- S-Ethyl N,N-hexamethylenothiocarbamate
- S-Ethyl 1-azepanecarbothioate #
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
| Appearance | Clear liquidexp.Measured value |
|---|---|
| Odour | Aromaticexp.Measured value |
| Boiling point | 136.5 °Cexp.Measured value |
| Density | 1.063 g/ml @ 20 °Cexp.Measured value |
| Flash point | 139 °Cexp.Measured value |
| Solubility | In water, 970 mg/l @ 25 °Cexp.Measured value |
| Vapour pressure | 5.6 × 10⁻³ mm Hg @ 25 °Cexp.Measured value |
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 187.31 g/molcalc.Computed value |
|---|---|
| Exact mass | 187.1031 Dacalc.Computed value |
| LogP (octanol/water) | 2.74calc.Computed value |
| Topological polar surface area | 20.31 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 12calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.89calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
- H317May cause an allergic skin reaction.
- H332Harmful if inhaled.
- H351Suspected of causing cancer.
- H361fSuspected of damaging fertility.
- H373May cause damage to organs through prolonged or repeated exposure.
- H400Very toxic to aquatic life.
- H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (22)
- P203Obtain, read and follow all safety instructions before use.
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P271Use only outdoors or in a well-ventilated area.
- P272Contaminated work clothing should not be allowed out of the workplace.
- P273Avoid release to the environment.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P317If swallowed: Get medical help.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P317Get medical help.
- P318If exposed or concerned, get medical advice.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P333 + P317If skin irritation or rash occurs: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- P391Collect spillage.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
- UN number
- UN 2902
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidMolinate suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- ChinaUnclaimed profileOrdramGrade, purity and minimum order on requestPrice on request
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Molinate price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Selective herbicide.
Herbicide.
Use classes: Herbicides.
Industries and functions
Pharmacological actions
- Antispermatogenic Agents
- Herbicides
Roles
- agrochemical
- antispermatogenic agent
- herbicide
- pesticide
Functional uses
- Biocide
How it is made
From ethyl chlorothiolformate and hexamethyleneimine.
Hexamethyleneimine + ethyl chlorothioformate (dehydrochlorination)
Regulatory status
Inventories, regulations and trade controls that list this substance
Europe
- EU harmonised classification (CLP Annex VI)Index no: 613-051-00-4
Health and food
- EU Cosmetics Regulation Annex II, prohibited in cosmeticsName: Molinate (ISO), Ref no: 1180, Annex ref: II/1180
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Molinate is traded under.
Heterocyclic compounds with nitrogen hetero-atom(s) only, other
- Slovenia31.7%
- Italy24.2%
- United States5.0%
* Partner reported figures, a lower bound.
The HS code shown for Molinate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Molinate, based on the data on this page
What is Molinate?
What is the CAS number of Molinate?
What is the molecular formula and weight of Molinate?
What is Molinate used for?
Is Molinate hazardous?
What is the HS code of Molinate?
Where can I buy Molinate?
What is the price of Molinate?
Guides for buyers
Practical guides that help when you source, ship or handle Molinate
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, Trade and logisticsShipping dangerous goods: UN numbers, classes and packing groupsHow the UN dangerous goods system works for chemicals, from the nine classes and UN numbers to packing groups, UN packaging marks, labels, documents and segregation.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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