CAS 3120-74-9 3-Methyl-4-(methylthio)phenol (HCID 18391)

名称と識別子

優先名称: 3-Methyl-4-(methylthio)phenol
IUPAC: 3-methyl-4-methylsulfanylphenol
現地名: 4-(メチルチオ)-m-クレゾール
英語名: 3-Methyl-4-(methylthio)phenol
分子式: C8H10OS
分子量: 154.23

名称と別名

3-Methyl-4-(methylthio)phenol3120-74-94-(Methylthio)-m-cresolMethylthiomethylphenolPhenol, 3-methyl-4-(methylthio)-3-Methyl-4-(1-methylthio)phenolDTXSID0051996304RF69F8FNSC-87560DTXCID3030559RefChem:818724221-496-7

名称をさらに表示

4-(メチルチオ)-m-クレゾール3-メチル-4-(メチルチオ)フェノール3-メチル-4-メチルチオフェノ-ル３メチル４メチルチオフェノル3-メチル-4-（メチルスルファニル）フェノール3-メチル-4-メチルチオフェノ?ル4-(メチルチオ)-M-クレゾ-ルP-METHYLMERCAPTO-M-CRESOLMTMCusafma-17Methylthiomcresolp-Methylthio-m-cresol4-(methylthio)-m-cresoFenamiphos Impurity 3

MMTP3-Methyl-4-(methylsulfanyl)phenol3-methyl-4-methylsulfanylphenolUSAF MA-174-(Methylthio)-3-methylphenolm-CRESOL, 4-(METHYLTHIO)-MFCD00045773NSC 87560

データベース識別子

CAS: 3120-74-9
PubChem CID: 18391
DTXSID: DTXSID0051996
ChEMBL: CHEMBL3560322
ChEBI: CHEBI:38681
UNII: 304RF69F8F
EC Number: 221-496-7、467-290-2
Nikkaji: J48.511J

物性

構造計算による物性

XLogP: 2.5
極性表面積: 45.5 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: 1
重原子数: 10
形式電荷: 0
複雑度: 105

物理化学的性質

融点: 56 · 56-60 °C
沸点: 151 °C · 151 °C / 15mmHg
比重(密度): 1.1125 · 1.1125 (rough estimate)
屈折率: 1.53 · 1.5300 (estimate)
貯蔵温度: Room Temperature
溶解性: クロロホルム、メタノール
外見: 個体
酸解離定数(Pka): 9.9 · 9.90±0.18(Predicted)
色: オフホワイトからライトベージュ
BRN: 1210322 · 1210322
InChI: 1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3
InChIKey: VKALYYFVKBXHTF-UHFFFAOYSA-N
SMILES: CSc1ccc(O)cc1C
CAS データベース: 3120 · 3120-74-9(CAS DataBase Reference)
EPAの化学物質情報: 4 · 4-(Methylthio)-m-cresol (3120-74-9)

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (86.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 3 件

Phenol, 3-methyl-4-(methylthio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 3-methyl-4-(methylthio)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 16-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11712

Status: Active Update: 18-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18920

Hazard Classes and Categories · 3 件

Skin Irrit. 2 (100%)；Eye Dam. 1 (86.7%)；Eye Irrit. 2 (13.3%)；STOT SE 3 (95.6%)

Flam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)

Acute toxicity (Dermal) - Category 3；Skin corrosion/irritation - Category 2；Serious eye damage/eye irritation - Category 2A；Hazardous to the aquatic environment (Acute) - Category 3；Hazardous to the aquatic environment (Long-term) - Category 3

法規制情報

Regulatory Information · 3 件

Phenol, 3-methyl-4-(methylthio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 3-methyl-4-(methylthio)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 16-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11712

Status: Active Update: 18-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18920

安全データ

wgk: 3
tsca: TSCA listed
rtecs: GP2225000
ridadr: 3335
hs_code: 2930909899
risk_code: 22-37/38-41
化審法: (3)-1100
hazard_code: Xn,Xi
safety_code: 26-36/39
hazard_class: IRRITANT, STENCH
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

U.S. Production2021: 163,802 lb；2020: 172,466 lb

General Manufacturing InformationPhenol, 3-methyl-4-(methylthio)-: ACTIVE

応用分野

使用3-Methyl-4-(methylthio)phenol is a metabolite of Fenamiphos (F245700), a Systemic broad spectrum nematocide with anticholinesterase activity. Nematocide.

上流・下流製品情報

上流原料

Formyl chloride キシレンシリカゲル塩化カルボニル m-クレゾールジメチルスルホキシドジメチルジスルフィド 5-メトキシ-2-(メチルチオ)トルエンメタンスルフェン酸クロリド Benzenamine, 3-methyl-4-(methylthio)-Phenol, 4-mercapto-3-methyl-Phenol, 3-methyl-4-(methylsulfinyl)-

下流製品

フェンチオンフェナミホス

サプライヤー98 社

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

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

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

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

化合物ノート

読み込み中…

4-(メチルチオ)-m-クレゾール

基本情報