基本情報
- CAS
121-65-3- 標準SMILES
CCCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1- InChIKey
KWXICGTUELOLSQ-UHFFFAOYSA-N- 分子式
- C18H30O3S
- 平均分子量
- 326.5 g/mol
- 単同位体質量
- 326.19156582
概要
4-dodecylbenzenesulfonic acid is a member of the class dodecylbenzenesulfonic acids that is benzenesulfonic acid in which the hydrogen at position 4 of the phenyl ring is substituted by a dodecyl group.
名称と識別子
- 優先名称
- p-Dodecylbenzenesulfonic acid
- IUPAC
- 4-dodecylbenzenesulfonic acid
- 現地名
- p-ドデシルベンゼンスルホン酸
- 英語名
- Dodecylbenzenesulfonic acid
- 分子式
- C18H30O3S
- 分子量
- 326.49
名称と別名
4-DODECYLBENZENESULFONIC ACID121-65-3p-dodecylbenzenesulfonic acidBenzenesulfonic acid, 4-dodecyl-4-Dodecylbenzene-1-sulfonic aciddodecyl benzenesulfonic acidp-Dodecylbenzenesulphonic acidOC21S23N1OEINECS 204-489-3DTXSID8050443CHEBI:149776NSC-85535
名称をさらに表示
p-ドデシルベンゼンスルホン酸4-ドデシルベンゼンスルホン酸4-ドデシルベンゼン-1-スルホン酸直鎖ｱﾙｷﾙﾍﾞﾝｾﾞﾝｽﾙﾎﾝ酸及びその塩(ｱﾙｷﾙ基 の炭素数が1 0 から1 4 までのもの及びその混 合物に限る｡)DDBSANSC 85535NAXEL AAS-98SALKYLARYLSULFONIC ACIDALKYLBENZENESULFONIC ACIDp-Dodecylbenzolsulfonsaure4-dodecyl-benzenesulfonicaciN-DODECYLBENZENESULFONIC ACID
BENZENESULFONIC ACID, P-DODECYL-RefChem:858061DTXCID8029812MFCD00066677Dodecylbenzenesulfonic Acid (mixture of isomers) (Technical Grade)UNII-OC21S23N1ONCIOpen2_009334NCIOpen2_009442
データベース識別子
物性
構造計算による物性
- XLogP
- 7
- 極性表面積
- 62.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 12
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 351
実験および物理化学的性質
SpringerMaterials PropertiesBoiling point
DensityRelative density (water = 1): 1
SolubilitySolubility in water: very good
Flash Point148.9 °C o.c.
Decomposition>204.5 °C
Melting Point10 °C
Physical DescriptionYELLOW-TO-BROWN LIQUID.
物理化学的性質
- 沸点
- 82 °C · 82 °C
- 比重(密度)
- 1.06 g/mL · 1.06 g/mL at 20 °C (lit.)
- 屈折率
- 20 · n20/D 1.51
- 闪点
- 85 °F · 85 °F
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- 水、アルコール、グリコールエーテル、グリコール、エステル、ケトン、芳香族および脂肪族炭化水素に可溶
- 酸解離定数(Pka)
- -0.45 · -0.45±0.50(Predicted)
- 外見
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
Danger
H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
危険有害性情報
Regulatory Information
Chemical: Benzenesulfonic acid, 4-dodecyl-
Benzenesulfonic acid, 4-dodecyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Linear alkylbenzenesulfonic acids (C10-C16): Human health tier II assessment
Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire.
UN ClassificationUN Hazard Class: 8; UN Pack Group: III
Chemical DangersDecomposes above 205 °C . This produces toxic fumes including sulfur oxides and hydrogen sulfide. Reacts with bases and oxidants. This produces sulfur oxides. This generates toxic hazard. Attacks metals.
Packaging and LabellingDo not transport with food and feedstuffs.
Hazard Classes and Categories
Acute Tox. 4 (90%)
Acute toxicity - category 4
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
Household ProductsInformation on 3 consumer products that contain p-Dodecylbenzenesulfonic acid in the following categories is provided:
General Manufacturing InformationBenzenesulfonic acid, 4-dodecyl-: ACTIVE
応用分野
使用4-Dodecylbenzenesulfonic acid (p-dodecylbenzenesulfonic acid, DBSA) may be used:As a solvent for the synthesis of 2-(1,5-diaryl-1,4-pentadien-3-ylidene)-hydrazinecarboximidamide hydrochlorides.In situ coating of rutile nanoparticles.As a stabilizer in the preparation of colloidal CdS.In the fabrication of solid-state dye-sensitized solar cells (DSSCs).
一般的な説明4-Dodecylbenzenesulfonic acid (DBSA) is an alkyl sulfonate. It participates in the preparation of a polymer along with polystyrene-block-poly(4-vinylpyridine) and a comb-coil A-block-(B-graft-C) type of copolymer.
上流・下流製品情報
下流製品
サプライヤー64 社
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co
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