CAS 135-79-5 6-Isopropylquinoline (HCID 67285)

Names & identifiers

Preferred name: 6-Isopropylquinoline
IUPAC: 6-propan-2-ylquinoline
English name: 6-Isopropylquinoline
Molecular formula: C12H13N
Molecular weight: 171.24

Names & synonyms

6-Isopropylquinoline135-79-5Quinoline, 6-(1-methylethyl)-6-(Isopropyl)quinoline8GE3N8WV7YEINECS 205-220-2AI3-36194QUINOLINE, 6-ISOPROPYL-6(Isopropyl)quinolineRefChem:543494Quinoline, 6(1methylethyl)205-220-2

Show more names

ISOPROPYL QUINOLINE6-Isopropylquinoline>6-ISOPROPYLQUINOLINE 97+%6-(1-methylethyl)-quinolin6-(1-methylethyl)-Quinoline6-Isopropylquinoline, ≥ 97.0%6-ISOPROPYLQUINOLINE ISO 9001：2015 REACH

6-propan-2-ylquinoline6-(1-Methylethyl)quinoline6-(propan-2-yl)quinolineMFCD00047615DTXSID9047465UNII-8GE3N8WV7YSCHEMBL112749CHEMBL3183913

Database identifiers

CAS: 135-79-5
PubChem CID: 67285
DTXSID: DTXSID9047465
ChEMBL: CHEMBL3183913
UNII: 8GE3N8WV7Y
EC Number: 205-220-2
Nikkaji: J184.395H

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 165

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Quinolines

FragrancesFragrance Ingredient (6-Isopropylquinoline) -> IFRA transparency List

Vapor Pressure0.01 [mmHg]

Physical DescriptionColorless to yellow liquid with an earthy, woody odor; [Bedoukian Research MSDS]

Collision Cross Section138.0 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID9047465]

Physicochemical properties

Boiling point: 143 °C · 143°C 12mm
Density: 1 · 1,02 g/cm3
refractive index: 1.588 · 1.5880-1.5920
storage temp.: 2 · 2-8°C
form: clear liquid
pka: 5.16 · 5.16±0.10(Predicted)
color: Colorless to Light yellow to Light orange
Specific Gravity: 1.02 · 1.02
Odor: 1 % · at 1.00 % in dipropylene glycol. weedy green metallic earthy leafy cortex phenolic nutty
Odor Type: green
Cosmetics Ingredients Functions: PERFUMING
LogP: 3.537 · 3.537 (est)
CAS DataBase Reference: 135 · 135-79-5(CAS DataBase Reference)
FDA UNII: 8 GE3N8WV7Y · 8GE3N8WV7Y
EPA Substance Registry System: 6 · Quinoline, 6-(1-methylethyl)- (135-79-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319
Precautionary statements: 210 · P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Risk Statements: 20 · 20/21/22
Safety Statements: 23 · 23-36/37/39
TSCA: TSCA listed
HS Code: 2933499090 · 2933499090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (99.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 316 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Quinoline, 6-(1-methylethyl)-

Quinoline, 6-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Quinoline, 6-(1-methylethyl)-: Environment tier I assessment

Hazards SummaryAn irritant; No skin sensitization observed in humans at 2% in petrolatum; Harmful by ingestion; Toxic by skin contact; [Bedoukian Research MSDS] See Quinoline.

Hazard Classes and CategoriesAcute Tox. 4 (99.7%)

Safety data

tsca: TSCA listed
hs_code: 2933499090
risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-36/37/39
Hazard statements: H227-H315-H319
Precautionary statements: P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501