基本情報
- CAS
126-86-3- 標準SMILES
CC(C)CC(C)(O)C#CC(C)(O)CC(C)C- InChIKey
LXOFYPKXCSULTL-UHFFFAOYSA-N- 分子式
- C14H26O2
- 平均分子量
- 226.35 g/mol
- 単同位体質量
- 226.19328007
概要
a non-ionic surfactant; structure in first source
名称と識別子
- 優先名称
- 2,4,7,9-Tetramethyl-5-decyne-4,7-diol
- IUPAC
- 2,4,7,9-tetramethyldec-5-yne-4,7-diol
- 現地名
- 2,4,7,9-テトラメチル-5-デシン-4,7-ジオール
- 英語名
- 2,4,7,9-Tetramethyl-5-decyne-4,7-diol
- 分子式
- C14H26O2
- 分子量
- 226.35
名称と別名
126-86-32,4,7,9-TETRAMETHYL-5-DECYNE-4,7-DIOLSurfynol 104Surfynol 104ATETRAMETHYL DECYNEDIOLSurfynol 104ESyrfynol 1045-Decyne-4,7-diol, 2,4,7,9-tetramethyl-1,4-Diisobutyl-1,4-dimethylbutynediolAcetylenol E 00Zetasperse 1200Surynol 104
名称をさらに表示
2,4,7,9-テトラメチル-5-デシン-4,7-ジオール2,4,7,9-テトラメチル-デカ-5-イン-4,7-ジオールスルフィノール1042,4,7,9-テトラメチル-5-デシン-4,7-ジオル２，４，７，９テトラメチル５デシン４，７ジオル2,4,7,9-テトラメチル-5-デシン-4,7-ジオール (DL-, meso-混合物)4,7-ジヒドロキシ-2,4,7,9-テトラメチル-5-デシン (DL-, meso-混合物)2,4,7,9-テトラメチルデカ-5-イン-4,7-ジオールS-1044,7-ジヒドロキシ-2,4,7,9-テトラメチル-5-デシンTMDD2,4,7,9-TETRAMETHYL-5-DECYN-4,7-DIOLTL-104surfynol1042,4,7,9-tetramethyldec-5-yne-4,7-diolS-104PD 30NSC 5630syrfynol104
Olfine PD 301DTXSID7027041B9Y126NY8KNSC-5630DTXCID307041TMDD cpdRefChem:443020204-809-1
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 40.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 6
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 256
実験および物理化学的性質
Chemical Classes
Other Classes -> Other Organic Compounds
Industrial compound
CosmeticsAntifoaming
Melting Point47 °C
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Other Solid; Liquid; Other Solid; Liquid
White to pale yellow melt; [MSDSonline]
Other Experimental PropertiesWAXY OR POWDERED SOLIDS OR LIQUIDS; NONFOAMING, NONIONIC /SURFYNOL/
物理化学的性質
- 融点
- 42 · 42-44 °C(lit.)
- 沸点
- 255 °C · 255 °C(lit.)
- 比重(密度)
- 0 · 0,89 g/cm3
- 蒸気圧
- 0.66 Pa · 0.66Pa at 20℃
- 屈折率
- 1.456 · 1.4560 (estimate)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 2 · 2-8°C
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1.9% (37 of 1913) of reports.
Danger
H317 (33.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1913 reports by companies from 24 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 5-Decyne-4,7-diol, 2,4,7,9-tetramethyl-
5-Decyne-4,7-diol, 2,4,7,9-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 5-Decyne-4,7-diol, 2,4,7,9-tetramethyl- 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)
REACH registered substance: 2,4,7,9-tetramethyldec-5-yne-4,7-diol (EC: 204-809-1)
Tetramethyl decyndiol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Emergency treatment: Detergents and soaps; [HSDB] Caused somnolence in lethal-dose inhalation studies of rats; Caused tremor and convulsions in feeding studies of dogs; [RTECS] A skin and eye irritant, based on animal studies; [eChemPortal: HPVIS] A severe eye irritant; [MSDSonline]
Hazard Classes and CategoriesSkin Sens. 1 (33.6%)
安全と保護具
Protective Action Criteria (PAC)
39 [mg/m3]
化学と産業
用途と製造
Uses
Used as a wetting agent (pesticides), rinsing aid, viscosity reducer, penetrating agent, defoamer (paints, adhesives, and dyes), and additive to metalworking fluids; [HSDB]
Metal Machining [Category: Heat or Machine]
WETTING & FOAM SUPPRESSION; RINSING AIDS; VISCOSITY REDN; DETERGENT FORMULATIONS; PENETRATING AGENTS /SURFYNOL/
DEFOAMER-EG, IN PAINTS, COATINGS, ADHESIVES, DYE PRODN
WETTING AGENT IN PESTICIDE FORMULATIONS
LUBRICITY ADDITIVE IN METALWORKING FORMULATIONS
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 5,000,000 - <10,000,000 lb
(1979) No Data
Consumption PatternsDEFOAMER IN WATER-BASED PAINTS & COATINGS, 45%; DEFOAMER IN WATER-BASED PRESSURE-SENSITIVE ADHESIVES, 35%; WETTING AGENT IN PESTICIDE FORMULATIONS, 15%; MISC, 5% (1982)
Consumer UsesMonomers
Industry UsesNot Known or Reasonably Ascertainable
Methods of ManufacturingREACTION OF ACETYLENE WITH METHYL ISOBUTYL KETONE IN PRESENCE OF POTASSIUM HYDROXIDE
Formulations/PreparationsSURFY-NOL: TRADEMARK FOR GROUP OF ORGANIC SURFACE-ACTIVE AGENTS /SURFY-NOL/
Household ProductsInformation on 14 consumer products that contain 2,4,7,9-Tetramethyl-5-decyne-4,7-diol in the following categories is provided:
Use ClassificationCosmetics -> Antifoaming
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