Basic information
- CAS
67564-91-4- Standard SMILES
CC(Cc1ccc(C(C)(C)C)cc1)CN1C[C@@H](C)O[C@@H](C)C1- InChIKey
RYAUSSKQMZRMAI-ALOPSCKCSA-N- Molecular formula
- C20H33NO
- Average molar mass
- 303.5 g/mol
- Monoisotopic mass
- 303.25621468
Overview
(2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is an alkylbenzene.
Names & identifiers
- Preferred name
- Fenpropimorph
- IUPAC
- (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine
- English name
- Fenpropimorph
- Molecular formula
- C20H33NO
- Molecular weight
- 303.48
Names & synonyms
Fenpropimorph67564-91-4FenpropimorpheMistralCorbelForbel 750FunbasBAS 42100FMildofixMistral T(+-)-cis-4-(3-(4-tert-Butylphenyl)-2-methylpropyl)-2,6-dimethylmorpholinecis-2,6-Dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)morpholine
Show more names
fenpropimorfCorbel[R]Mistral[R]Einecs 266-719-9cis-fenpropimorphAllethrin Impurity 8Fenpropimorph cis-formFenpropimorph Standard
4548UM725Fcis-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholineRo 14-3169/000BAS-42100FBAS 421FMorpholine, 2,6-dimethyl-4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-, cis-RO-14-3169/000Morpholine, 4-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethyl-, (2R,6S)-rel-
Database identifiers
- CAS
67564-91-4- PubChem CID
- 93365
- DTXSID
DTXSID4034601- ChEMBL
CHEMBL372700- ChEBI
CHEBI:143732- UNII
- 4548UM725F
- EC Number
- 266-719-9
- Nikkaji
- J310.265C
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 317
Experimental & physicochemical properties
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Environmental transformation -> Pesticides (parent, predecessor)
Fungicides
Pesticide
Pesticide (Fenpropimorph) -> USDA PDB
LogP4.93
Human DrugsPharmaceuticals
Ionization Efficiency
Positive
4.6
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Dissociation Constants7.34
Collision Cross Section
173.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID4034601]
174.7 Ų [M+H]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
175.62 Ų [M+H]+
Physicochemical properties
- Melting point
- 25 °C · 25°C
- Boiling point
- 444.4 °C · 444.4°C (rough estimate)
- Density
- 0.9804 · 0.9804 (rough estimate)
- vapor pressure
- 0.004 Pa · 0.004Pa at 20℃
- refractive index
- 1.5614 · 1.5614 (estimate)
- Flash point
- 100 °C · >100 °C
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 15 mg/ml,DMSO: · DMF: 15 mg/ml,DMSO: 5 mg/ml,Ethanol: 15 mg/ml,Ethanol:PBS (pH 7.2)(1:2): 0.3 mg/ml
- form
- A neat oil
- pka
- 7.34 · 7.34±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Water Solubility
- 4.32 mg/L · 4.32mg/L at 20℃
- Merck
- 13 · 13,4021
- Henry's Law Constant
- 6.2 · 6.2×100 mol/(m3Pa) at 25℃, Mackay et al. (2006)
- Major Application
- agriculturecleaning productscosmeticsenvironmentalfood and beveragespersonal care
- InChI
- 1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3
- InChIKey
- RYAUSSKQMZRMAI-UHFFFAOYSA-N
- SMILES
- CC(CN1CC(C)OC(C)C1)Cc2ccc(cc2)C(C)(C)C
- LogP
- 4.93 · 4.930
- EWG's Food Scores
- 2 · 2-3
- FDA UNII
- 4548 UM725F · 4548UM725F
- EPA Substance Registry System
- Fenpropimorph (67564-91-4)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H361d-H411
- Precautionary statements
- 273 · P273-P281
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter, type N95 (US)
- Hazard Codes
- Xn;N,N,Xn
- Risk Statements
- 22 · 22-38-51/53-63
- Safety Statements
- 36 · 36/37-46-61
- RIDADR
- 3082 · UN 3082
- WGK Germany
- 3 · WGK 3
- RTECS
- 1940000 · QE1940000
- HS Code
- 29349990 · 29349990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 2Repr. 2Skin Irrit. 2
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P317, P302+P352, P318, P321, P330, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P317, P302+P352, P318, P321, P330, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Commission Regulation (EC) No 1490/2002
Fenpropimorph is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
2008/107, Reg. (EU) 2022/801, Reg. (EU) No 540/2011
REACH registered substance: cis-4-[3-(p-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine (EC: 266-719-9)
Fenpropimorph: HSNO Approval: HSR003169 Approved with controls
Hazard Classes and Categories
Acute Tox. 4 (100%)
Reproductive toxicity - category 2
Repr. 2
Toxicology
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
RAIS Toxicity Values
0.15
OPP
0.032
OPP
EPA Human Health Benchmarks for Pesticides
Fenpropimorph
0.15
4200
Females 13-49 yrs
0.032
190
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter, type N95 (US)
- wgk
- WGK 3
- rtecs
- QE1940000
- ridadr
- UN 3082
- hs_code
- 29349990
- risk_code
- 22-38-51/53-63
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08,GHS09
- hazard_code
- Xn;N,N,Xn
- safety_code
- 36/37-46-61
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H361d-H411
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 2Repr. 2Skin Irrit. 2
- Precautionary statements
- P273-P281
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationChemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc.
Uses & manufacturing
Use Classification
Pharmaceuticals
Fungicides
Environmental transformation -> Pesticides (parent, predecessor)
Applications
DescriptionFenpropimorph is a morpholine fungicide. It is colorless, odorless oil. Fenpropimorph, a systemic fungicide, absorbed through the leaves and roots, has protective and curative properties. It can inhibit the sterol pathway. It is mostly used for the control of fungal diseases, including powdery mildew, scald, yellow & brown rusts, and Mycosphaerella. Its is major use is to control diseases in cereals including wheat, barley, oats, rye, and triticale. It could be also applied on bananas, plantains, sugarbeet and beans.
UsesSystemic fungicide for control of powdery mildew, rust in cereal crops.
UsesSystemic fungicide.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers63 total
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [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
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
Hangzhou HeRui Chemical Co., Ltd0086-571-87396576 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
湖北康鑫源顺医药化工有限公司027-51831887 15337167856 · [email protected]
上海凯裕医药科技有限公司17317130613 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳市恒丰万达医药科技有限公司18126517264 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
深圳晴天生物技术有限公司18823167005 18162969855 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
Additional notes
DefinitionChEBI: (2S,6R)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is an alkylbenzene.
Related reactions
1 records
Compound notes
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