基本情報
- CAS
27323-41-7- 標準SMILES
CCCCCCCCCCCCc1cccc(S(=O)(=O)O)c1.OCCN(CCO)CCO- InChIKey
JHWLWOYSFJIYQV-UHFFFAOYSA-N- 分子式
- C18H30O3S.C6H15NO3
- 平均分子量
- 475.7 g/mol
- 単同位体質量
- 475.29675933
概要
This material contains triethanolamine dodecylbenzenesulfonate, a white- colored, waxy solid dissolved in a liquid carrier. The primary hazard of this material is its potential threat to the environment. Immediate steps should be taken to limit its spread to the environment. Since it is a liquid it can easily penetrate the soil and contaminate groundwater and nearby streams.
名称と識別子
- 優先名称
- dodecylbenzenesulfonic acid, triethanolamine salt
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;3-dodecylbenzenesulfonic acid
- 現地名
- ドデシルベンゼンスルホン酸ＴＥＡ
- 英語名
- TRIETHANOLAMMONIUM DODECYLBENZENE SULFONATE
- 分子式
- C18H30O3S.C6H15NO3
- 分子量
- 475.682
名称と別名
Witconate TabTriethanolamine dodecylbenzenesulfonateWitconate 60LWitconate 60TWitconate 79STEA-DodecylbenzenesulfonateWitconate 5725Witconate S-1280Caswell No. 887AAAI3-26730-XDodecylbenzenesulfonic acid triethanolamine saltEINECS 248-406-9
名称をさらに表示
ドデシルベンゼンスルホン酸ＴＥＡAlkasurf Twitconate60lwitconate60twitconate79switconatetabwitconate5725witconates-1280TEADODECYLBENZENESULPHONATE
EPA Pesticide Chemical Code 0790208HM7ZD48HNDodecylbenzenesulfonic acid, triethanolamine saltDodecylbenzenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)DTXSID5027932BENZENESULFONIC ACID, DODECYL-, COMPOUND WITH 2,2',2"-NITRILOTRIS(ETHANOL) (1:1)BENZENESULFONIC ACID, DODECYL-, COMPOUND WITH 2,2',2"-NITRILOTRIS[ETHANOL] (1:1)Witconate S1280
データベース識別子
- CAS
27323-41-7
物性
構造計算による物性
- 極性表面積
- 127 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 7
- 回転可能結合数
- 18
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 415
実験および物理化学的性質
Chemical ClassesOther Classes -> Benzenesulfonic Acid Derivatives
Cosmetics
Cosmetic ingredients (TEA-Dodecylbenzenesulfonate) -> CIR (Cosmetic Ingredient Review)
Foaming; Surfactant
Density1.2 at 68 °F (est.) (USCG, 1999) - Denser than water; will sink
Physical Description
This material contains triethanolamine dodecylbenzenesulfonate, a white- colored, waxy solid dissolved in a liquid carrier. The primary hazard of this material is its potential threat to the environment. Immediate steps should be taken to limit its spread to the environment. Since it is a liquid it can easily penetrate the soil and contaminate groundwater and nearby streams.
Other Solid; Liquid
White waxy solid dissolved in a liquid carrier; [CAMEO] 60% Aqueous solution: Yellowish-brown liquid; [CHRIS]
物理化学的性質
- 安定性
- 安定。可燃性。強力な酸化剤とは相容れない。
- 化粧品成分の機能
- クレンジング発泡界面活性剤 - 洗浄
- InChI
- InChI=1S/C18H30O3S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;8-4-1-7(2-5-9)3-6-10/h13-16H,2-12H2,1H3,(H,19,20,21);8-10H,1-6H2
- InChIKey
- JHWLWOYSFJIYQV-UHFFFAOYSA-N
- SMILES
- C1(S(=O)(=O)O)=CC=C(CCCCCCCCCCCC)C=C1.N(CCO)(CCO)CCO
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 10.2% (70 of 689) of reports.
Danger
H301 (15.2%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 689 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1) 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)
Benzenesulphonic acid, dodecyl-, compd. with triethanolamine (1:1): Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelClass 9
Fire HazardsSpecial Hazards of Combustion Products: Toxic oxides of nitrogen and irritating oxides of sulfur may form in fire. (USCG, 1999)
Health HazardsIngestion may cause irritation of mouth and stomach. Contact with eyes or prolonged contact with skin may cause irritation. (USCG, 1999)
Hazards Summary
May cause eye and skin (prolonged contact) irritation; [CHRIS] A skin, eye, and respiratory tract irritant; May cause liver, kidney, blood, and CNS injury; [EPA OHM/TADS] Also known as benzenesulfonic acid, C10-13-alkyl derives., compds. With triethanolamine, linear (CAS# 68411-31-4), and as benzenesulfonic acid, dodecyl, branched, compds. With triethanolamine, branched (CAS# 70528-84-6); All 3 CAS#'s and names are currently in use and refer to the same product of commerce; [EPA ChAMP: Submissions - Submission] See Dodecyl benzene sulfonic acid. See Triethanolamine.
化学と産業
用途と製造
Uses
CIR ingredient: TEA-Dodecylbenzenesulfonate
Used in the chemical, agricultural, and textile processing industries; Used as an intermediate, pesticide, and surface-active agent; [IUCLID] Anionic surfactant used in household, institutional, and industrial cleaning products, emulsion polymerization (i.e. agricultural products), as dye dispersants in the textile industry, in paint strippers, specialized personal care products, and children's bubble making products; [EPA ChAMP: Submissions - Submission] Formerly registered in the US for use as a disinfectant; [NPIRS] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
U.S. Production2023: 850,000 - <1,000,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
Household ProductsInformation on 86 consumer products that contain TEA-dodecylbenzenesulfonate in the following categories is provided:
Use ClassificationCosmetics -> Foaming; Surfactant
General Manufacturing Information
Paper Manufacturing
Benzenesulfonic acid, dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1): ACTIVE
応用分野
使用Food additive.
一般的な説明TRIETHANOLAMMONIUM DODECYLBENZENE SULFONATE contains TRIETHANOLAMMONIUM DODECYLBENZENE SULFONATE, a white- colored, waxy solid dissolved in a liquid carrier. The primary hazard of TRIETHANOLAMMONIUM DODECYLBENZENE SULFONATE is its potential threat to the environment. Immediate steps should be taken to limit its spread to the environment. Since TRIETHANOLAMMONIUM DODECYLBENZENE SULFONATE is a liquid TRIETHANOLAMMONIUM DODECYLBENZENE SULFONATE can easily penetrate the soil and contaminate groundwater and nearby streams.
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