Basic information
- CAS
93-19-6- Standard SMILES
CC(C)Cc1ccc2ccccc2n1- InChIKey
FAQVGPWFQGGIPP-UHFFFAOYSA-N- Molecular formula
- C13H15N
- Average molar mass
- 185.26 g/mol
- Monoisotopic mass
- 185.12044948
Names & identifiers
- Preferred name
- 2-Isobutylquinoline
- IUPAC
- 2-(2-methylpropyl)quinoline
- English name
- 2-ISOBUTYLQUINOLINE
- Molecular formula
- C13H15N
- Molecular weight
- 185.26
Names & synonyms
2-Isobutylquinoline2-(2-Methylpropyl)quinolineQuinoline, 2-(2-methylpropyl)-2-Isobutyl quinolinealpha-IsobutylquinolineQUINOLINE, 2-ISOBUTYL-BRN 0117444EINECS 202-227-2AI3-36193.alpha.-Isobutylquinoline1865ZV931RDTXSID5052622
Show more names
2-Isobutylchinolin2-isobutyl-quinolinISOBUTYL QUINOLINE 22-(2-methylpropyl)-quinolin2-(2-methylpropyl)-QuinolineISO-BUTYL QUINOLINE-2 6127003
UNII-1865ZV931R5-20-07-00484 (Beilstein Handbook Reference)RefChem:87707DTXCID9031195202-227-2FAQVGPWFQGGIPP-UHFFFAOYSA-N93-19-6isobutylchinolin
Database identifiers
- CAS
93-19-6- PubChem CID
- 7130
- DTXSID
DTXSID5052622- UNII
- 1865ZV931R
- EC Number
- 202-227-2
- Nikkaji
- J113.669K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2-Isobutylquinoline) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 304.5 °C · 304.5°C (estimate)
- Density
- 1.0268 · 1.0268 (estimate)
- refractive index
- 1.6153 · 1.6153 (estimate)
- pka
- 5.55 · 5.55±0.61(Predicted)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. animal leather woody rooty oakmoss tobacco
- Odor Type
- animal
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.951 · 3.951 (est)
- CAS DataBase Reference
- 93 · 93-19-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1865 ZV931R · 1865ZV931R
- EPA Substance Registry System
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 98.2% (1385 of 1411) of all reports.
Not Classified
Aggregated GHS information provided per 1411 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Quinoline, 2-(2-methylpropyl)-
Quinoline, 2-(2-methylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity Summary
The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of 2-Isobutylquinoline as described in this fragrance ingredient safety assessment. Target data show that 2-isobutylquinoline is not genotoxic. The repeated dose, reproductive, and local respiratory toxicity endpoints were evaluated using the Threshold of Toxicological Concern (TTC) for a Cramer Class III material, and the exposure to 2-isobutylquinoline is below the TTC (0.0015 mg/kg/day, 0.0015 mg/kg/day, and 0.47 mg/day, respectively). Data from read-across analog quinoline (CAS # 91-22-5) show that there are no safety concerns for 2-isobutylquinoline for skin sensitization under the current declared levels of use. The photoirritation endpoint was evaluated based on data and ultraviolet/visible (UV/Vis) spectra; 2-isobutylquinoline is not photoirritating. 2-isobutylquinoline is not photoallergenic based on the UV/Vis spectra.
Environmental Fate/Exposure Summary
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationQuinoline, 2-(2-methylpropyl)-: ACTIVE
Applications
UsesTrace amounts of 2-ISOBUTYLQUINOLINE are frequently used in perfume compositions along with tenacious (highboiling) fixatives such as Vetiver, Patchouli, macrocyclic musks, Oakmoss products, etc. If not properly fixed, the Quinoline odor will appear with undesirable strength in the dryout of the fragrance. Effective concentrations may be less than 0.1 percent in the total perfume oil. The effect is more that of a general "lift" than actually an odor contribution, and the quinoline odor should not be part of the fragrance picture, but should appear with an undetectable note of radiation and strength. Occasionally used in Tobacco flavor compositions.
Suppliers29 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
江西林缘香料有限公司13879661494 13879661494 · [email protected]
吉良化学21-62165282 · [email protected]
BOC Sciences
Related reactions
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Compound notes
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