1,2,3,4-Tetrahydro-6-methyl-chinolin

6-Methyl-1,2,3,4-tetrahydroquinoline

HCID 66678CAS 91-61-2

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Grundinformationen

Standard-SMILES: Cc1ccc2c(c1)CCCN2
InChIKey: XOKMRXSMOHCNIX-UHFFFAOYSA-N
Summenformel: C10H13N
Durchschnittliche Molmasse: 147,22 g/mol
Monoisotopische Masse: 147,10479942

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 6-Methyl-1,2,3,4-tetrahydroquinoline
IUPAC: 6-methyl-1,2,3,4-tetrahydroquinoline
Lokaler Name: 1,2,3,4-Tetrahydro-6-methyl-chinolin
Englischer Name: 6-METHYL-1,2,3,4-TETRAHYDROQUINOLINE
Summenformel: C10H13N
Molmasse: 147.22

Namen und Synonyme

6-Methyl-1,2,3,4-tetrahydroquinoline91-61-21,2,3,4-Tetrahydro-6-methylquinolinep-MethyltetrahydroquinolineQuinoline, 1,2,3,4-tetrahydro-6-methyl-DTXSID60474440I67838Y8KNSC-65606DTXCID4027444MTHQ-6 cpdRefChem:104974202-083-0

Weitere Namen anzeigen

AKOS BB-9794AKOS B016030ART-CHEM-BB B0160306-ethoxy-2-methyl-2-hexanol6-methyltetrahydroquinolinePara-Methyl TetrahydroquinolineTETRAHYDRO PARA METHYL QUINOLINE

CivettalMFCD00023887130870-84-7UNII-0I67838Y8K6-methyl-1,2,3,4-tetrahydro-quinoline6-Methyl-1,3,4-tetrahydroquinolineFS-5625Quinoline,2,3,4-tetrahydro-6-methyl-

Datenbank-Bezeichner

CAS: 91-61-2
PubChem CID: 66678
DTXSID: DTXSID6047444
ChEMBL: CHEMBL3188227
UNII: 0I67838Y8K
EC Number: 202-083-0
Nikkaji: J39.746F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 133

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

FragrancesFragrance Ingredient (p-Methyltetrahydroquinoline) -> IFRA transparency List

Collision Cross Section134.5 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID6047444]

Physikochemische Eigenschaften

Schmelzpunkt: 36 · 36-38°C
Siedepunkt: 262 · 262-263°C 712mm
Dichte: 0.99 · 0.990±0.06 g/cm3(Predicted)
Flammpunkt: 262 · 262-263°C/712mm
storage temp.: 2 · 2-8°C, protect from light
pka: 5.69 · 5.69±0.20(Predicted)
Geruch (Odor): 1 % · at 1.00 % in dipropylene glycol. animal civet leather ambergris
Geruchsart: animal
Wasserlöslichkeit: Insoluble in water.
BRN: 122515 · 122515
Kosmetik-Inhaltsstoffe Funktionen: PERFUMING
LogP: 2.937 · 2.937 (est)
CAS Datenbank: 91 · 91-61-2(CAS DataBase Reference)
EPA chemische Informationen: 6 · 6-Methyl-1,2,3,4-tetrahydroquinoline (91-61-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (99.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1680 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Quinoline, 1,2,3,4-tetrahydro-6-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Quinoline, 1,2,3,4-tetrahydro-6-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (99.9%)

Sicherheitsdaten

tsca: TSCA listed
hs_code: 2933499090
risk_code: 20/21/22
safety_code: 26-36/37/39

Chemie und Industrie

Verwendung und Herstellung

IFRA Fragrance Standards · 6 Einträge

p-Methyltetrahydroquinoline

6-Methyl-1,2,3,4-tetrahydroquinoline; Quinoline, 1,2,3,4-tetrahydro-6-methyl-; 1,2,3,4-Tetrahydro-6-methylquinoline; Tetrahydro-p-methylquinoline

IFRA_STD_215.pdf

IFRA 51st Amendment - Guidance for the use of IFRA Standards

Specification: This material should be used only if it meets the criteria stated in the Standard

Use ClassificationFragrance Ingredients

General Manufacturing InformationQuinoline, 1,2,3,4-tetrahydro-6-methyl-: ACTIVE

Anwendungen

Verwenden6-Methyl-1,2,3,4-tetrahydroquinoline is used as pharmaceutical intermediate.

Darstellung

synthetischeTetra Hydro Para Methyl Quinoline is prepared from 6-Methylquinoline hydrochloride by reduction with nascent Hydrogen, followed by neutralization.