기본 정보
- CAS
126-86-3- 표준 SMILES
CC(C)CC(C)(O)C#CC(C)(O)CC(C)C- InChIKey
LXOFYPKXCSULTL-UHFFFAOYSA-N- 분자식
- C14H26O2
- 평균 분자량
- 226.35 g/mol
- 단동위원소 질량
- 226.19328007
개요
a non-ionic surfactant; structure in first source
이름 및 식별자
- 우선 이름
- 2,4,7,9-Tetramethyl-5-decyne-4,7-diol
- IUPAC
- 2,4,7,9-tetramethyldec-5-yne-4,7-diol
- 현지명
- 2,4,7,9-테트라메틸-5-데신-4,7-디올
- 영어명
- 2,4,7,9-Tetramethyl-5-decyne-4,7-diol
- 분자식
- C14H26O2
- 분자량
- 226.35
이름 및 동의어
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
이름 더 보기
2,4,7,9-테트라메틸5-데신-4,7-다이올2,4,7,9-테트라메틸5-데신-4,7-디올2,4,7,9-테트라메틸-5-데신-4,7-디올4,7-하이드록시-2,4,7,9-테트라메틸-5-데신2,4,7,9-테트라메틸5-데신-4,7-다이올TMDD2,4,7,9-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
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 256
실험 및 물리화학적 성질
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/
물리화학적 성질
- 녹는점
- 42 · 42-44 °C(lit.)
- 끓는 점
- 255 °C · 255 °C(lit.)
- 밀도
- 0 · 0,89 g/cm3
- 증기압
- 0.66 Pa · 0.66Pa at 20℃
- 굴절률
- 1.456 · 1.4560 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
안전 및 보호
Protective Action Criteria (PAC)
39 [mg/m3]
화학 및 산업
용도 및 제조
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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