Isononanoic acid
Grundinformationen
- CAS
26896-18-4- Standard-SMILES
CC(C)CCCCCC(=O)O- InChIKey
XZOYHFBNQHPJRQ-UHFFFAOYSA-N- Summenformel
- C9H18O2
- Durchschnittliche Molmasse
- 158,24 g/mol
- Monoisotopische Masse
- 158,13067982
Überblick
7-methyloctanoic acid is a branched-chain saturated fatty acid consisting of octanoic acid carrying a 7-methyl group. It is a branched-chain saturated fatty acid, a medium-chain fatty acid and a methyl-branched fatty acid.
Namen und Bezeichner
- Bevorzugter Name
- Isononanoic acid
- IUPAC
- 7-methyloctanoic acid
- Englischer Name
- Isononanoic acid
- Summenformel
- C9H18O2
- Molmasse
- 158.24
Namen und Synonyme
7-methyloctanoic acidISONONANOIC ACID693-19-626896-18-4isopelargonic acidOctanoic acid, 7-methyl-M3MIU88L6UUNII-M3MIU88L6UCHEBI:37108DTXSID108831297-methyl-octanoateisononanate
Weitere Namen anzeigen
7-methyloctanoicaciXZOYHFBNQHPJRQ-UHFFFAOYSA-N
isononanoateisopelargonate7-Methylcaprylate7-Methyl caprylateRefChem:149597DTXCID807915DTXSID2027915248-092-3
Datenbank-Bezeichner
- CAS
26896-18-4、693-19-6- PubChem CID
- 33635
- DTXSID
DTXSID10883129- ChEBI
CHEBI:37108- UNII
- M3MIU88L6U
- EC Number
- 248-092-3
- Nikkaji
- J249.078A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 108
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Physikochemische Eigenschaften
- Schmelzpunkt
- 3 · 3-5 °C
- Siedepunkt
- 246.47 °C · 246.47°C (estimate)
- Dichte
- 0.9113 · 0.9113 (rough estimate)
- Brechungsindex
- 1.4159 · 1.4159 (estimate)
- Löslichkeit
- Acetonitrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Oil
- pka
- 4.78 · 4.78±0.10(Predicted)
- Farbe
- Colourless to Pale Yellow
- LogP
- 3.25 · 3.250 (est)
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
This chemical does not meet GHS hazard criteria for 18% (33 of 183) of reports.
Danger
H302 (59%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 183 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Isononanoic acid
Status: Active Update: 10-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26602
Isononanoic acid: 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.
Hazard Classes and CategoriesAcute Tox. 4 (59%)
Chemie und Industrie
Verwendung und Herstellung
Household ProductsInformation on 2 consumer products that contain Isononanoic acid in the following categories is provided:
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationIsononanoic acid: ACTIVE
Anbieter40 Anbieter
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
山东金悦源新材料有限公司18615186228 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海三牧化工技术有限公司021-38681880 13817889927
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
杭州施特安化工有限公司+86-571-86108208 17681825664 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
苏州西博利生物科技有限公司17326194005
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
重庆卡兰医药有限公司[email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
武汉山海志合生物科技有限公司17771424646 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
泰安盈顺化工有限公司13854830608; 13854830608 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: A branched-chain saturated fatty acid consisting of octanoic acid carrying a 7-methyl group.
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