Grundinformationen
- CAS
593-39-5- Standard-SMILES
CCCCCCCCCCC/C=C\CCCCC(=O)O- InChIKey
CNVZJPUDSLNTQU-SEYXRHQNSA-N- Summenformel
- C18H34O2
- Durchschnittliche Molmasse
- 282,5 g/mol
- Monoisotopische Masse
- 282,25588033
Überblick
Petroselinic acid is the cis-isomer of octadec-6-enoic acid, a long-chain fatty acid. It has a role as a plant metabolite. It is a conjugate acid of a petroselinate.
Namen und Bezeichner
- Bevorzugter Name
- Petroselinic Acid
- IUPAC
- (Z)-octadec-6-enoic acid
- Lokaler Name
- (Z)-Octadec-6-ensure
- Englischer Name
- Petroselinic acid
- Summenformel
- C18H34O2
- Molmasse
- 282.46
Namen und Synonyme
PETROSELINIC ACID593-39-5cis-6-Octadecenoic acidPetroselic acid6Z-octadecenoic acid(6Z)-Octadecenoic acidcis-octadec-6-enoic acid3A10DOC461Petroselenic acidCHEBI:28194DTXSID30102657518:1(N-12)
Weitere Namen anzeigen
6-OCTADECENOIC ACID(Z)-6-Octadecenoic acid18:1ω12C18:1n-12PetroselinicPetroselinic aci
RefChem:860456Fatty Acid 18:1 n-12DTXCID101510732209-789-8(Z)-Octadec-6-enoic acid(6Z)-6-Octadecenoic acid6-Octadecenoic acid, (Z)-Petroselinsaeure
Datenbank-Bezeichner
- CAS
593-39-5- PubChem CID
- 5281125
- DTXSID
DTXSID301026575- ChEMBL
CHEMBL3139878- ChEBI
CHEBI:28194- UNII
- 3A10DOC461
- EC Number
- 209-789-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,3
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 15
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 234
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section175.5 Ų [M-H]-
Physikochemische Eigenschaften
- Schmelzpunkt
- 29.5 · 29.5-30.1°
- Siedepunkt
- 18 · bp18 237-238°
- Dichte
- 0.899 · 0.899
- Brechungsindex
- 40 · nD40 1.4533
- Flammpunkt
- 28 °C · 28 °C
- storage temp.
- 20 °C · −20°C
- Löslichkeit
- Chloroform (Slightly)
- Aggregatzustand
- powder
- pka
- 4.75 · 4.75±0.10(Predicted)
- Farbe
- white
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 1.5% (1 of 68) of reports.
Danger
H302+H312 (41.2%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 68 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationPetroselinic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (41.2%)
Sicherheitsdaten
- wgk
- 1
- hs_code
- 2916.19.3000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemie und Industrie
Anwendungen
Verwenden(6Z)-6-Octadecenoic Acid, is a monounsaturated fatty acid and isomer of oleic acid, that is a component of plant lipids. Arachidonic acid levels decrease, while linoleic acid levels increase, in the heart, liver, and blood of rats fed a diet containing petroselinic acid.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter71 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
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