Basic information
- CAS
1333-53-5- Standard SMILES
CC(C)c1ccnc2ccccc12- InChIKey
HFYWOOUKPVJGBA-UHFFFAOYSA-N- Molecular formula
- C12H13N
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.10479942
Names & identifiers
- Preferred name
- Isopropylquinoline (mixed isomers)
- IUPAC
- 4-propan-2-ylquinoline
- English name
- 6-Isopropylquinoline
- Molecular formula
- C12H13N
- Molecular weight
- 171.24
Names & synonyms
IsopropylquinolineQuinoline, (1-methylethyl)-1333-53-5Lichenol6-Isopropyl quinolinep-Isopropyl quinolineQuinoline, isopropyl-EINECS 215-595-423B37EI60SRefChem:792261215-595-44-Isopropylquinoline
Show more names
ISOPROPYL QUINOLINE6-Isopropylquinoline(1-methylethyl)-Quinoline
4-propan-2-ylquinolineQuinoline, 4-(1-methylethyl)-17507-25-44-(1-Methylethyl)quinoline21LQY06C934-(propan-2-yl)quinolineQuinoline,(1-methylethyl)-SCHEMBL826018
Database identifiers
- CAS
1333-53-5、17507-25-4- PubChem CID
- 74004
- DTXSID
DTXSID20862642- UNII
- 21LQY06C93
- EC Number
- 215-595-4
- Nikkaji
- J561.518F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Isopropylquinoline) -> IFRA transparency List
Physicochemical properties
- Melting point
- 73.5 · 73.5-74 °C(Solv: ethanol (64-17-5))
- Boiling point
- 291.23 °C · 291.23°C (rough estimate)
- Density
- 1.0491 · 1.0491 (rough estimate)
- refractive index
- 1.623 · 1.6230 (estimate)
- Odor
- 1 % · at 1.00 % in dipropylene glycol. green metallic earthy leafy
- Odor Type
- green
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.33 · 3.330 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 23 B37EI60S · 23B37EI60S
- EPA Substance Registry System
- Quinoline, (1-methylethyl)- (1333-53-5)
- Symbol(GHS)
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P262, P264, P270, P280, P301+P317, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Quinoline, (1-methylethyl)-
Other Safety InformationIMAP assessments - Quinoline, (1-methylethyl)-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H311-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationQuinoline, (1-methylethyl)-: ACTIVE
Suppliers13 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
BOC Sciences[email protected]
上海巍涛化工有限公司02150630626 17717886015 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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