基本情報
- CAS
1534-08-3- 標準SMILES
CSC(C)=O- InChIKey
OATSQCXMYKYFQO-UHFFFAOYSA-N- 分子式
- C3H6OS
- 平均分子量
- 90.15 g/mol
- 単同位体質量
- 90.01393598
名称と識別子
- 優先名称
- S-Methyl thioacetate
- IUPAC
- S-methyl ethanethioate
- 現地名
- チオ酢酸S-メチル
- 英語名
- S-Methyl thioacetate
- 分子式
- C3H6OS
- 分子量
- 90.14
名称と別名
S-Methyl thioacetate1534-08-3S-Methyl ethanethioateEthanethioic acid, S-methyl esterMethylthioacetatePF2D4MWX791-(methylsulfanyl)ethan-1-oneDTXSID3073264FEMA NO. 3876CHEBI:51280RefChem:884259DTXCID8034956
名称をさらに表示
メタンチオールアセタートチオ酢酸S-メチルチオ酢酸 S-メチルS-メチル チオアセタート1-(メチルスルファニル)エタン-1-オンFEMA 3876CH3C(O)SCH3S-MethylThioacetate>S-METHYL ACETOTHIOACETATES-Methyl Thioacetate 98%Pineapple alcohol acetate
DTXCID20285251216-252-1DTXSID10334161Methyl thioacetateS-METHYLTHIOACETATEMethanethiol acetateThioacetic acid S-methyl esterMethyl thiolacetate
データベース識別子
- CAS
1534-08-3- PubChem CID
- 73750
- DTXSID
DTXSID3073264- ChEBI
CHEBI:51280- UNII
- PF2D4MWX79
- EC Number
- 216-252-1
- Nikkaji
- J125.731E
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 42.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 5
- 形式電荷
- 0
- 複雑度
- 42
実験および物理化学的性質
Density0.817-0.825
Solubility
soluble in oil and alcohol
(in ethanol)
Boiling Point
95.00 to 96.00 °C. @ 760.00 mm Hg
95-96 °C
Refractive Index1.460-1.468
Physical Description
Liquid
colourless to pale yellow liquid
Kovats Retention Index
688；675；683；671；671；675；689.6
701；702；699；689；689；702
1056；1052；1046；1041；1057；1090；1047；1056；1044；1044；1060；1050；1054；1052.2；1056.4
物理化学的性質
- 融点
- 97 · 97~99℃
- 沸点
- 97 · 97-99°C
- 比重(密度)
- 1 · 1,024 g/cm3
- 屈折率
- 1.464 · n/D1.464
- FEMA
- 3876 · 3876 | S-METHYL THIOACETATE
- 闪点
- 12 °C · 12°C
- 貯蔵温度
- Sealed in dry,Room Temperature
- 外見
- clear liquid
- 比重
- 1.024 · 1.024
- 色
- Colorless to Almost colorless
- 臭い (Odor)
- 0.1 %。硫黄を含む卵の多いチーズ · プロピレングリコール中0.10%。硫黄を含む卵の多いチーズ 乳製品 野菜 キャベツ
- においのタイプ
- 硫黄の
- JECFA Number
- 482 · 482
- InChI
- 1S/C3H6OS/c1-3(4)5-2/h1-2H3
- InChIKey
- OATSQCXMYKYFQO-UHFFFAOYSA-N
- SMILES
- CSC(C)=O
- LogP
- 0.73 · 0.73
- CAS データベース
- 1534 · 1534-08-3(CAS DataBase Reference)
- EPAの化学物質情報
- Ethanethioic acid, S-methyl ester (1534-08-3)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.2% (3 of 1490) of reports.
Danger
H225 (13.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H226 (86.4%): Flammable liquid and vapor [Warning Flammable liquids]；H311 (99.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H319 (99.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (96.8%): Toxic if inhaled [Danger Acute toxicity, inhalation]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P337+P317, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1490 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 1490 reports by companies.；There are 8 notifications provided by 1487 of 1490 reports by companies with hazard statement code(s).；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
Chemical: Ethanethioic acid, S-methyl ester
Ethanethioic acid, S-methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (13.4%)；Flam. Liq. 3 (86.4%)；Acute Tox. 3 (99.5%)；Eye Irrit. 2 (99.5%)；Acute Tox. 3 (96.8%)
法規制情報
Regulatory Information
Chemical: Ethanethioic acid, S-methyl ester
Ethanethioic acid, S-methyl ester: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 3
- ridadr
- 1992
- hs_code
- 29309090
- risk_code
- 11-20/21/22-36-24-20
- 消防法
- 危-4-1-II
- hazard_code
- F,T
- safety_code
- 16-23-29-36/37-45-26
- hazard_class
- 3
- packing_group
- II
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2STOT SE 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
薬理情報
Cellular LocationsCytoplasm；Extracellular
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
応用分野
用途有機合成原料、香料材料。
天然物の起源Reported found in melon, strawberry, onion, Gruyere and limburger cheese, fish oil, cooked beef, pork liver, beer, whiskies, grape wines, coffee and yellow passion fruit
上流・下流製品情報
上流原料
サプライヤー100 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
石家庄利达化学品有限公司+86 (311) 8573-7996 · [email protected]
吉良化学21-62165282 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海毕楷科技有限公司18516304666
山东西亚化学有限公司13355009207 13355009207 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
武汉裕清嘉衡药业有限公司027-83850122 13343472658 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
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