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p-Dodecylbenzolsulfonsure

p-Dodecylbenzenesulfonic acid

HCID 8485
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GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
121-65-3
Standard-SMILES
CCCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1
InChIKey
KWXICGTUELOLSQ-UHFFFAOYSA-N
Summenformel
C18H30O3S
Durchschnittliche Molmasse
326,5 g/mol
Monoisotopische Masse
326,19156582

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
p-Dodecylbenzenesulfonic acid
IUPAC
4-dodecylbenzenesulfonic acid
Lokaler Name
p-Dodecylbenzolsulfonsure
Englischer Name
Dodecylbenzenesulfonic acid
Summenformel
C18H30O3S
Molmasse
326.49

Namen und Synonyme

4-DODECYLBENZENESULFONIC ACID121-65-3p-dodecylbenzenesulfonic acidBenzenesulfonic acid, 4-dodecyl-4-Dodecylbenzene-1-sulfonic aciddodecyl benzenesulfonic acidp-Dodecylbenzenesulphonic acidOC21S23N1OEINECS 204-489-3DTXSID8050443CHEBI:149776NSC-85535
Weitere Namen anzeigen
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

Datenbank-Bezeichner

CAS
121-65-3、27176-87-0
PubChem CID
8485

Eigenschaften

Berechnete Struktureigenschaften

XLogP
7
Polarare Oberfläche (TPSA)
62,8 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
12
Schwere Atome
22
Formalladung
0
Komplexität
351

Experimentelle und physikochemische Eigenschaften

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.

Physikochemische Eigenschaften

Siedepunkt
82 °C · 82 °C
Dichte
1.06 g/mL · 1.06 g/mL at 20 °C (lit.)
Brechungsindex
20 · n20/D 1.51
Flammpunkt
85 °F · 85 °F
storage temp.

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

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]

Gefahrenhinweise

Regulatory Information · 2 Einträge

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

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

Household ProductsInformation on 3 consumer products that contain p-Dodecylbenzenesulfonic acid in the following categories is provided:
General Manufacturing InformationBenzenesulfonic acid, 4-dodecyl-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden4-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).

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

pesticide emulsifier 56 type

Anbieter64 Anbieter

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+86-0371-86658258 +86-13203830695 · [email protected]

Zugehörige Reaktionen

2
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 1742796
HRID 1742796als Eduktuspto-grants-1994_08
Reaktionsgleichung von HRID 2226341
HRID 2226341als Eduktuspto-grants-1994_09

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
DTXSID
DTXSID8050443
ChEMBL
CHEMBL2219674
ChEBI
CHEBI:149776
UNII
OC21S23N1O
EC Number
204-489-3
Nikkaji
J181.024C
Sealed in dry,Room Temperature
Löslichkeit
water, alcohols, glycol ethers, glycols, esters, ketones, aromatic and aliphatic hydrocarbons: soluble
pka
-0.45 · -0.45±0.50(Predicted)
Aggregatzustand
liquid
Farbe
Clear, brown
Geruch (Odor)
Penetrating, strong odor
BRN
2217653 · 2217653
Stabilität
Stable. Incompatible with strong oxidizing agents, strong bases.
InChI
1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)
InChIKey
KWXICGTUELOLSQ-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCc1ccc(cc1)S(O)(=O)=O
EPA chemische Informationen
4 · Benzenesulfonic acid, 4-dodecyl- (121-65-3)
· 2 Einträge

Acute Tox. 4 (90%)

Acute toxicity - category 4

Sicherheit und Schutzausrüstung

Fire FightingIn case of fire in the surroundings, use appropriate extinguishing media.
First Aid Measures · 4 Einträge

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer for medical attention .

Safe StorageSeparated from bases and oxidants.
Spillage Disposal · 1 Eintrag

Personal protection: chemical protection suit including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable non-metallic containers. Cautiously neutralize remainder with sodium bicarbonate.

Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionAVOID ALL CONTACT! IN ALL CASES CONSULT A DOCTOR!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation, local exhaust or breathing protection.
Effects of Short Term ExposureThe substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion.

Toxikologische Informationen

Exposure RoutesThe substance can be absorbed into the body by inhalation of its vapour and by ingestion.
Signs and Symptoms · 4 Einträge

Burning sensation. Cough. Laboured breathing. Shortness of breath. Sore throat.

Redness. Pain. Skin burns. Blisters.

Redness. Pain. Severe burns. Loss of vision.

Abdominal pain. Burning sensation. Shock or collapse.

ICSC Environmental DataThe substance is toxic to aquatic organisms.
RAIS Toxicity Values · 2 Einträge

0.5

OPP

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 2924 3/PG 3
hs_code
2904100090
RTECS-Nr.
DB6600000
risk_code
34
hazard_code
C
safety_code
26-36/37/39-45
hazard_class
8
Speicherklasse
8A - Combustible, corrosive hazardous materials
Hazard Classifications
Skin Corr. 1B
郑州汇聚化工有限公司
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Syntechem Co.,Ltd[email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
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TargetMol 中国(陶术生物)400-821-0310 15002144251 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
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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]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
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上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
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