StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
Huagongshe Open Project:[email protected]KI-Anbindung: llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.7.8
  1. Startseite
  2. /Verbindung

n-Octanoyl-5-salicylic acid

HCID 9838158
NotizenReaktionen

Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen

GrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
78418-01-6
Standard-SMILES
CCCCCCCC(=O)c1ccc(O)c(C(=O)O)c1
InChIKey
IXIGWKNBFPKCCD-UHFFFAOYSA-N
Summenformel
C15H20O4
Durchschnittliche Molmasse
264,32 g/mol
Monoisotopische Masse
264,13615911

Namen und Bezeichner

Bevorzugter Name
n-Octanoyl-5-salicylic acid
IUPAC
2-hydroxy-5-octanoylbenzoic acid
Englischer Name
2-Hydroxy-5-octanoylbenzoic acid
Summenformel
C15H20O4
Molmasse
264.32

Namen und Synonyme

78418-01-65-Octanoylsalicylic acid5F7PJF6AA4MEXORYL SABO-octanoyloxybenzoic acidRefChem:830873n-octanoyl-5-salicylic acidDr.Different VITAACNAL TX Night417-790-12-octanoyloxybenzoic acidCapryloyl Salicylic Acid2-hydroxy-5-octanoylbenzoic acid
Weitere Namen anzeigen
Octyl salicylic acidCaprylyl salicylic acid5- octyl salicylic acidOctanoyl salicylic acid5-n-Octanoylsalicylic Acid
Benzoic acid, 2-hydroxy-5-(1-oxooctyl)-MFCD118462472-hydroxy-5-octanoyl-benzoic Acid2-Hydroxy-5-n-octanoylbenzoic Acid2-hydroxy-5-(1-oxooctyl)Benzoic acidUNII-5F7PJF6AA4beta-Lipohydroxy acid5-octanoylsalicylic-acid

Datenbank-Bezeichner

CAS
78418-01-6
PubChem CID
9838158
DTXSID
DTXSID801025584
UNII
5F7PJF6AA4
EC Number
417-790-1、806-024-5
Nikkaji
J2.458.858K

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
5,2
Polarare Oberfläche (TPSA)
74,6 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
8
Schwere Atome
19
Formalladung
0
Komplexität
301

Physikochemische Eigenschaften

Schmelzpunkt
115 °C · 115 °C
Siedepunkt
454.8 · 454.8±35.0 °C(Predicted)
Dichte
1.144 · 1.144
Dampfdruck
97.3 Pa · 97.3Pa at 21℃
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
soluble in Methanol
Aggregatzustand
powder to crystal
pka
2.68 · 2.68±0.10(Predicted)
Farbe
White to Almost white
Wasserlöslichkeit
29.7 mg/L · 29.7mg/L at 20℃
InChI
InChI=1S/C15H20O4/c1-2-3-4-5-6-7-13(16)11-8-9-14(17)12(10-11)15(18)19/h8-10,17H,2-7H2,1H3,(H,18,19)
InChIKey
IXIGWKNBFPKCCD-UHFFFAOYSA-N
SMILES
C(O)(=O)C1=CC(C(=O)CCCCCCC)=CC=C1O
LogP
0.32 at · 0.32 at 20℃
CAS Datenbank
78418 · 78418-01-6(CAS DataBase Reference)

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

H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzoic acid, 2-hydroxy-5-(1-oxooctyl)-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. the introduction volume of the chemical exceeds 1 tonne per annum;b. the concentration of the chemical exceeds or is intended to exceed 0.5% in cosmetic products;c. information of the potential of the chemical to cause increased sun sensitivity becomes available;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

Chemie und Industrie

Verwendung und Herstellung

UsesCIR ingredient: Capryloyl Salicylic Acid
Use ClassificationCosmetics -> Skin conditioning

Anwendungen

Verwendencapryloyl salicylic acid is a skin conditioner. This is an ester of salicylic and caprylic acids.

Anbieter100 Anbieter

北京华美互利生物化工010-56205725 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [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]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司

Zugehörige Reaktionen

7
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 35511
HRID 35511als Eduktuspto-grants-1988_08
Reaktionsgleichung von HRID 359552
HRID 359552als Eduktuspto-grants-1991_03
Reaktionsgleichung von HRID 846716
HRID 846716als Eduktuspto-grants-1992_08
Reaktionsgleichung von HRID 1222156
HRID 1222156als EduktTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaktionsgleichung von HRID 1398273
HRID 1398273als Eduktuspto-grants-2014_12
Reaktionsgleichung von HRID 1398276
HRID 1398276als Eduktuspto-grants-2014_12
Reaktionsgleichung von HRID 1417058
HRID 1417058als Eduktuspto-grants-1999_06

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung

Status: Active Update: 25-09-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/9335;Status: Active Update: 01-10-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/1269

Hazard Classes and Categories · 2 Einträge

Skin Sens. 1 (100%);Eye Dam. 1 (100%);STOT SE 3 (100%);Aquatic Chronic 3 (100%)

Skin Sens. 1 (97.6%);Eye Dam. 1 (97.6%)

Toxikologische Informationen

Toxicity Summary · 2 Einträge

The CIR Expert Panel concluded that the available data are insufficient to make a determination that Capryloyl Salicylic Acid is safe under the intended conditions of use in cosmetic formulations.

The available data are insufficient to support safety

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Benzoic acid, 2-hydroxy-5-(1-oxooctyl)-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. the introduction volume of the chemical exceeds 1 tonne per annum;b. the concentration of the chemical exceeds or is intended to exceed 0.5% in cosmetic products;c. information of the potential of the chemical to cause increased sun sensitivity becomes available;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

Status: Active Update: 25-09-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/9335;Status: Active Update: 01-10-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/1269

Sicherheitsdaten

hs_code
2918.99.4700
13720274133 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
上海超悦化学科技有限公司(原上海斯比德化学)21-65679720 · [email protected]
江西瑞威尔生物科技有限公司400-880-2824 18107960669 · [email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
上海先尔化学科技有限公司021-021-60556752 15800818924 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
武汉威顺达科技发展有限公司86-027-88774375 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
河北茹麒科技有限公司176-03256889 17603256889 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
武汉吉业升化工有限公司027-13545242311 13545242311 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
泰州天鸿生化科技有限公司0523-86132544 15366717810 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
湖北隆信化工实业有限公司15271551270 · [email protected]
泰州天鸿生化科技有限公司15366717998 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
张家港华茂精细化学有限公司0512-58327208; 13962221965;18261880368 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]