Completing data — usually done within a minute
Basic information
- Standard SMILES
CCSC(=O)N1CCCCCC1- InChIKey
DEDOPGXGGQYYMW-UHFFFAOYSA-N- Molecular formula
- C9H17NOS
- Average molar mass
- 187.308 g/mol
- Monoisotopic mass
- 187.10308516
Names & identifiers
- Preferred name
- Molinate
- IUPAC
- S-Ethyl azepane-1-carbothioate
- English name
- Molinate
- Molecular formula
- C9H17NOS
- Molecular weight
- 187.3
Names & synonyms
G 10BUD31YalanYulanFelanJalanordamsc998Cwc14R-4572
Database identifiers
- CAS
2212-67-1- PubChem CID
- 16653
- DTXSID
DTXSID6024206- ChEMBL
CHEMBL1865916- ChEBI
CHEBI:6964- UNII
- 68N5G08DJQ
- EC Number
- 218-661-0
- Nikkaji
- J1.802C
Properties
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 202 °C · 202°C (10 mmHg)
- Density
- 1.06 · 1.06
- refractive index
- 1.525 · 1.5250 (estimate)
- Flash point
- 100 °C · 100 °C
- storage temp.
- 0 · 0-6°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- pka
- -1.22 · -1.22±0.20(Predicted)
- form
- Liquid
- color
- Amber
- Water Solubility
- 0.08 g/100 · 0.08 g/100 mL
- BRN
- 1239196 · 1239196
- Henry's Law Constant
- 7.7 · 7.7×100 mol/(m3Pa) at 25℃, Watanabe (1993)
- Major Application
- agriculturecleaning productscosmeticsenvironmentalfood and beveragespersonal care
- InChI
- 1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
- InChIKey
- DEDOPGXGGQYYMW-UHFFFAOYSA-N
- SMILES
- CCSC(=O)N1CCCCCC1
- LogP
- 3.21 · 3.210
- CAS DataBase Reference
- 2212 · 2212-67-1(CAS DataBase Reference)
- EWG's Food Scores
- 4 · 4-5
- FDA UNII
- 68 N5G08DJQ · 68N5G08DJQ
- Proposition 65 List
- Molinate
- NIST Chemistry Reference
- Molinate(2212-67-1)
- EPA Substance Registry System
- Molinate (2212-67-1)
- Pesticides Freedom of Information Act (FOIA)
- Molinate
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317-H332-H351-H373-H410
- Precautionary statements
- 264 · P264-P270-P261-P272-P280-P271-P201-P202-P260-P273-P301+P312-P330-P302+P352-P333+P313-P362+P364-P304+P340-P312-P308+P313-P314-P391-P405-P501
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T,N,Xn
- Risk Statements
- 20 · 20/22-40-43-48/22-63-50/53-62
- Safety Statements
- 36 · 36/37-46-60-61
- RIDADR
- 2902 · 2902
- WGK Germany
- 3 · 3
- RTECS
- 2625000 · CM2625000
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 InhalationAcute · Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Repr. 2Skin Sens. 1
- Hazardous Substances Data
- 2212 · 2212-67-1(Hazardous Substances Data)
- Toxicity
- 50 · LC50 (96-hour) for bluegill sunfish 29–30 mg/L, goldfish 30 mg/L, mosquito fish 16.4 mg/L, rainbow trout 0.2–1.3 mg/L (Hartley and Kidd, 1987); acute oral LD50 of technical molinate for rats and mice 720 and 795 mg/kg, respectively (Ashton and Monaco, 1991), 501 mg/kg (RTECS, 1985).
Safety & regulation
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- CM2625000
- ridadr
- 2902
- Toxicity
- LC50 (96-hour) for bluegill sunfish 29–30 mg/L, goldfish 30 mg/L, mosquito fish 16.4 mg/L, rainbow trout 0.2–1.3 mg/L (Hartley and Kidd, 1987); acute oral LD50 of technical molinate for rats and mice 720 and 795 mg/kg, respectively (Ashton and Monaco, 1991), 501 mg/kg (RTECS, 1985).
- risk_code
- 20/22-40-43-48/22-63-50/53-62
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08,GHS09
- hazard_code
- T,N,Xn
- safety_code
- 36/37-46-60-61
- hazard_class
- 6.1(b)
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H302-H317-H332-H351-H373-H410
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Repr. 2Skin Sens. 1
- Precautionary statements
- P264-P270-P261-P272-P280-P271-P201-P202-P260-P273-P301+P312-P330-P302+P352-P333+P313-P362+P364-P304+P340-P312-P308+P313-P314-P391-P405-P501
- Hazardous Substances Data
- 2212-67-1(Hazardous Substances Data)
Chemistry & industry
Applications
DescriptionMolinate is a selective thiocarbamate herbicide. Molinate is highly soluble and persistent in water. It is also quite volatile. It would not normally be persistent in soil systems. It is moderately toxic to humans, is a cholinesterase inhibitor, may cause negative fertility/reproduction effects and it is an irritant. It is moderately toxic to most fauna and flora.
UsesSelective herbicide used to control the germination of annual grasses and broadleaved weeds in rice crops.
General DescriptionClear liquid with aromatic odor. Non corrosive. Used as an herbicide.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers36 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Syntechem Co.,Ltd[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493
上海毕楷科技有限公司18516304666
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
上海源叶生物科技有限公司13636370518 · [email protected]
南京罗迈美生物科技有限公司[email protected]
山东小野化学股份有限公司0539-6362799 20）
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海百舜生物科技有限公司021-37581181 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
北京坛墨质检科技有限公司010-52889049 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Aladdin Scientific[email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
重庆卡兰医药有限公司[email protected]
Additional notes
DefinitionChEBI: 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 member of azepanes and a monothiocarbamic ester.
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