2,2,3-Trimethylcyclopent-3-enylacetonitril
3-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl-
Grundinformationen
- CAS
15373-31-6- Standard-SMILES
CC1=CCC(CC#N)C1(C)C- InChIKey
YYJOTFQPYNOYAB-UHFFFAOYSA-N- Summenformel
- C10H15N
- Durchschnittliche Molmasse
- 149,23 g/mol
- Monoisotopische Masse
- 149,12044948
Überblick
(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile is a nitrile that is acetonitrile in which one of the hydrogens has been replaced by a 2,2,3-trimethylcyclopent-3-en-1-yl group. A powerful fragrance compound with pine, rosemary and hay-like tonalities. It has a role as a fragrance. It is a volatile organic compound and a nitrile. It derives from a hydride of a cyclopentene.
Namen und Bezeichner
- Bevorzugter Name
- 3-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl-
- IUPAC
- 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile
- Lokaler Name
- 2,2,3-Trimethylcyclopent-3-enylacetonitril
- Englischer Name
- 2-(2,2,3-Trimethyl-1-cyclopent-3-enyl)acetonitrile
- Summenformel
- C10H15N
- Molmasse
- 149.23
Namen und Synonyme
15373-31-63-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl-2,2,3-Trimethylcyclopent-3-enylacetonitrileEINECS 239-405-4DTXSID608645892,2,3-trimethyl-3-cyclopentene-1-acetonitrile3-Cyclopentnen-1-acetonitrile, 2,2,3-trimethyl-NSC 122686RefChem:500839DTXCID30813089239-405-4Cantryl
Weitere Namen anzeigen
trimethyl-3-cyclopentenyl acetonitrile2,2,3-Trimethylcyclopent-3-enylacetonitril
2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile2-(2,2,3-TRIMETHYL-1-CYCLOPENT-3-ENYL)ACETONITRILE3-Cyclopentene-1-acetonitrile,2,2,3-trimethyl-NSC-122686(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrileNSC122686DE97J89DCW4-cyanomethyl-5,5-dimethyl-1-methylcyclopent-1-ene
Datenbank-Bezeichner
- CAS
15373-31-6- PubChem CID
- 85833
- DTXSID
DTXSID60864589- ChEBI
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 23,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 227
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (2,2,3-Trimethylcyclopent-3-enylacetonitrile) -> IFRA transparency List
Physikochemische Eigenschaften
- Siedepunkt
- 226 ℃[at · 226℃[at 101 325 Pa]
- Dichte
- 0.91 · 0.91[at 20℃]
- Dampfdruck
- 66 Pa · 66Pa at 20℃
- Geruch (Odor)
- 10 % · at 10.00 % in dipropylene glycol. pine rosemary hay
- Geruchsart
- pine
- Wasserlöslichkeit
- 336 mg/L · 336mg/L at 20℃
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- LogP
- 2.96 at · 2.96 at 23.6℃
- EPA chemische Informationen
- 3 · 3-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl- (15373-31-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 89.5% (102 of 114) of all reports.
Warning
H315 (10.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 114 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 3-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 2,2,3-trimethylcyclopent-3-enylacetonitrile (EC: 239-405-4)
3-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 3-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (10.5%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationFragrance Ingredients
General Manufacturing Information3-Cyclopentene-1-acetonitrile, 2,2,3-trimethyl-: ACTIVE
Anbieter7 Anbieter
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
重庆卡兰医药有限公司[email protected]
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