Hymexazol (HCID 24781)

名称と識別子

優先名称: Hymexazol
IUPAC: 5-Methyl-1,2-oxazol-3(2H)-one
現地名: 5-メチルイソオキサゾール-3-オール
英語名: Hymexazol
分子式: C4H5NO2
分子量: 99.09

名称と別名

5-メチルイソオキサゾール-3-オールタチガレンブトシドヒメキサゾールヒドロキシイソキサゾール5-メチルイソオキサゾール-3(2H)-オン3-ヒドロキシ-5-メチルイソオキサゾールタキガレンブシドヒドロキシイソオキサゾール3-ヒドロキシ-5-メチルイソオキサゾルヒメキサゾール標準品

名称をさらに表示

３ヒドロキシ５メチルイソオキサゾルヒメキサゾールヒドロキシイソキザゾール5-メチルイソキサゾール-3(2H)-オンヒドロキシイソキサゾール標準品ヒドロキシイソキサゾール標準物質5-メチル-2,3-ジヒドロ-1,2-オキサゾール-3-オンサンブレイクHYMEXAZOLE5-METHYLISOXAZOL-3-OL5-Methylisoxazol-3(2H)-one3-HYDROXY-5-METHYLISOXAZOLETACHIGALOZEHYDROXYISOXAZOLE5-Hydroxy-3-methylisoxazolebucidf-319T 319

データベース識別子

CAS: 10004-44-1
PubChem CID: 24781
DTXSID: DTXSID3032622
ChEMBL: CHEMBL244877
ChEBI: CHEBI:5827
UNII: 20T2M875LO
EC Number: 233-000-6
Nikkaji: J3.115A

物性

構造計算による物性

XLogP: 0.1
極性表面積: 38.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 128

物理化学的性質

融点: 80 °C · 80°C
沸点: 185.54 °C · 185.54°C (rough estimate)
比重(密度): 1.2992 · 1.2992 (rough estimate)
蒸気圧: 0.182 Pa · 0.182 Pa (25 °C)
屈折率: 1.417 · 1.4170 (estimate)
貯蔵温度: 2 · 2-8°C
溶解性: アルコール、アセトン、THF、クロロホルムに可溶
外見: 粉
酸解離定数(Pka): 5.91 · 5.91 (weak acid)
水溶解度: 65 · 65,100 mg l-1 (20 °C)
色: 白からオレンジ
Merck: 14 · 14,4856
Henry's Law Constant: 4.7 · 4.7×103 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
InChI: 1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)
InChIKey: KGVPNLBXJKTABS-UHFFFAOYSA-N
SMILES: CC1=CC(=O)NO1
CAS データベース: 10004 · 10004-44-1(CAS DataBase Reference)
EPAの化学物質情報: Hymexazol (10004-44-1)

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]；H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]；H361d: Suspected of damaging the unborn child [Warning Reproductive toxicity]；H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Danger

危険有害性情報

Regulatory Information · 4 件

Commission Regulation (EC) No 1490/2002

Hymexazol is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

2011/5/EU, Reg. (EU) 2023/918, Reg.(EU) No 2018/1266, Reg.(EU) No 540/2011

Hymexazol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 3(2H)-Isoxazolone, 5-methyl-: Human health tier I assessment；IMAP assessments - 3(2H)-Isoxazolone, 5-methyl-: Environment tier I assessment

Hazard Classes and Categories · 3 件

Acute Tox. 4 (100%)；Skin Sens. 1 (47.7%)；Eye Dam. 1 (98.9%)；Repr. 2 (14.8%)；Repr. 2 (33%)；Aquatic Chronic 2 (47.7%)；Aquatic Chronic 3 (51.1%)

Reproductive toxicity - category 2；Acute toxicity (ingestion) - category 4；Eye damage - category 1；Skin sensitisation - category 1；Hazardous to the aquatic environment (chronic) - category 2

Repr. 2；Acute Tox. 4；Eye Dam. 1；Skin Sens. 1；Aquatic Chronic 2

毒性情報

RAIS Toxicity Values · 4 件

1.5

OPP

0.3

OPP

EPA Human Health Benchmarks for Pesticides · 6 件

Hymexazol

1.5

10000

Children

0.3

2000

法規制情報

Regulatory Information · 4 件

Commission Regulation (EC) No 1490/2002

Hymexazol is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

2011/5/EU, Reg. (EU) 2023/918, Reg.(EU) No 2018/1266, Reg.(EU) No 540/2011

Hymexazol: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
rtecs: NY2932000
毒性: LD50 in male, female mice, rats (mg/kg): 2148, 1968, 4678, 3909 orally; 1297, 1167, 1924, 1884 s.c.; 445, 514, >1000, >1000 i.v.; in rats, rabbits (mg/kg): >10000, >2000 dermally (Nakamura, 1978)
hs_code: 29349990
risk_code: 22-41-52/53
hazard_code: Xn,Xi
safety_code: 26-39-61
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Repr. 2Skin Sens. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

Use ClassificationEnvironmental transformation -> Pesticides (parent, predecessor)

応用分野 · 2 件

用途ヒドロキシイソキサゾール試験用標準品。

使用Hymexazol is used to control soil-borne diseases caused by Fusarium, Aphanomyces, Pythium, Corficium and Typhula spp. in rice, sugar beet, fodder beet, vegetables, cucurbits, ornamentals, carnations and forest tree seedlings. It is also used as a seed dressing and stimulates some plant growth.

上流・下流製品情報

上流原料

下流製品

Hymexazol aqueous solution 4-ブロモメチル-2-メトキシメチル-5-メチルイソキサゾールイン-3-オン

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

補足説明 · 1 件

定義ChEBI: A member of the class of isoxazoles carrying hydroxy and methyl substituents at positions 3 and 5 respectively. It is used worldwide as a systemic soil and seed fungicide for the control of diseases caused by Fusarium, Aphanomyces Pythium, and Corticium spp. in rice, sugarbeet, fodderbeet, vegetables, cucurbits, and ornamentals.