2-(3-Pentyl)pyridine
Basic information
- CAS
7399-50-0- Standard SMILES
CCC(CC)c1ccccn1- InChIKey
FTYAXYWEDPWJCJ-UHFFFAOYSA-N- Molecular formula
- C10H15N
- Average molar mass
- 149.23 g/mol
- Monoisotopic mass
- 149.12044948
Names & identifiers
- Preferred name
- 2-(3-Pentyl)pyridine
- IUPAC
- 2-pentan-3-ylpyridine
- English name
- 2-(3-Pentyl)pyridine
- Molecular formula
- C10H15N
- Molecular weight
- 149.23
Names & synonyms
2-(3-Pentyl)pyridine7399-50-03-(2-Pyridyl)pentane2-(1-Ethylpropyl)pyridinePyridine, 2-(1-ethylpropyl)-6YF99WM20LEINECS 230-998-5NSC 54364NSC-54364DTXSID4052477RefChem:455888DTXCID5031050
Show more names
2-(3-PENTYL)PYRIDINE 95+%2-(1-ethylpropyl)-pyridin
230-998-52-pentan-3-ylpyridine2-(1-Ethyl-propyl)-pyridine2-(pentan-3-yl)pyridineMFCD000146312-(3-Pentyl)pyridine ,UNII-6YF99WM20LNSC54364
Database identifiers
- CAS
7399-50-0- PubChem CID
- 81887
- DTXSID
DTXSID4052477- UNII
- 6YF99WM20L
- EC Number
- 230-998-5
- Nikkaji
- J150.341C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2-(1-Ethylpropyl)pyridine) -> IFRA transparency List
Physicochemical properties
- Melting point
- 125.5 °C · 125.5°C (estimate)
- Boiling point
- 225.33 °C · 225.33°C (estimate)
- Density
- 0.9 · 0.90
- refractive index
- 1.486 to · 1.4860 to 1.4880
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- pka
- 5.65 · 5.65±0.19(Predicted)
- color
- Colorless to Red to Green
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.225 · 3.225 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 YF99WM20L · 6YF99WM20L
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 69.5% (89 of 128) of all reports.
Danger
H301 (29.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 128 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Pyridine, 2-(1-ethylpropyl)-
Other Safety InformationIMAP assessments - Pyridine, 2-(1-ethylpropyl)-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (29.7%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2933.39.9200
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H226
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationPyridine, 2-(1-ethylpropyl)-: ACTIVE
Related reactions
1 records
Compound notes
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