Basic information
- CAS
2110-18-1- Standard SMILES
c1ccc(CCCc2ccccn2)cc1- InChIKey
JJJPNTQYUJPWGQ-UHFFFAOYSA-N- Molecular formula
- C14H15N
- Average molar mass
- 197.27 g/mol
- Monoisotopic mass
- 197.12044948
Overview
2-(3-Phenylpropyl)pyridine is a member of pyridines.
Names & identifiers
- Preferred name
- 2-(3-Phenylpropyl)Pyridine
- IUPAC
- 2-(3-phenylpropyl)pyridine
- English name
- 2-(3-Phenylpropyl)pyridine
- Molecular formula
- C14H15N
- Molecular weight
- 197.28
Names & synonyms
2-(3-Phenylpropyl)PyridinePyridine, 2-(3-phenylpropyl)-cortex pyridineFEMA No. 3751alpha-(3-Phenylpropyl)pyridineDTXSID70423569F0BFM744FUNII-9F0BFM744FDTXCID5022356EINECS 218-300-7.ALPHA.-(3-PHENYLPROPYL)PYRIDINE2-(3-PHENYLPROPYL)PYRIDINE [FHFI]
Show more names
CORPS RACINEFEMA 3751AKOS 90304FEMA NUMBER 3751CORPS RACINE VS H&R2-(3-phenylpropyl)-pyridin2-(3-Phenylpropyl)pyrideine2-(3-Phenylpropyl)pyridine>1-PHENYL-3-(2-PYRIDYL)PROPANE
RefChem:84270218-300-7JJJPNTQYUJPWGQ-UHFFFAOYSA-N2110-18-1MFCD001912372-PHENYLPROPYLPYRIDINEphenylpropylpyridine3-phenylpropyl pyridine
Database identifiers
- CAS
2110-18-1- PubChem CID
- 459494
- DTXSID
DTXSID7042356- ChEMBL
CHEMBL3186957- ChEBI
CHEBI:180819- UNII
- 9F0BFM744F
- EC Number
- 218-300-7
- Nikkaji
- J298.703A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2-(3-Phenylpropyl)pyridine) -> IFRA transparency List
LogP3.590
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.012-1.018
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in fat; Insoluble in water
Soluble (in ethanol)
Boiling Point
142.00 to 143.00 °C. @ 1.00 mm Hg
142-143 °C (1 mm Hg)
Refractive Index1.558-1.563
Physical DescriptionColourless liquid;
Collision Cross Section141.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7042356]
Physicochemical properties
- Boiling point
- 142 · 142-143 °C1 mm Hg(lit.)
- Density
- 1.015 g/mL · 1.015 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.56(lit.)
- FEMA
- 3751 · 3751 | 2-(3-PHENYLPROPYL)PYRIDINE
- FLAVIS Number
- 14.072 · 14.072 | 2-(3-Phenylpropyl)pyridine
- Flash point
- 212 °F · 212 °F
- storage temp.
- Store at room temperature
- pka
- 5.8 · 5.80±0.12(Predicted)
- form
- Liquid
- color
- Clear yellow
- Odor
- 0.1 % · at 0.10 % in dipropylene glycol. fresh green weedy cortex nasturtium metallic
- Odor Type
- green
- JECFA Number
- 1321 · 1321
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.59 · 3.59
- CAS DataBase Reference
- 2110 · 2110-18-1(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 2 · 2-(3-PHENYLPROPYL)PYRIDINE
- FDA UNII
- 9 F0BFM744F · 9F0BFM744F
- EPA Substance Registry System
- 2 · Pyridine, 2-(3-phenylpropyl)- (2110-18-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338-P280a-P304+P340-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 2 · 2
- TSCA
- TSCA listed
- HS Code
- 29333999 · 29333999
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1606 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Pyridine, 2-(3-phenylpropyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyridine, 2-(3-phenylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29333999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338-P280a-P304+P340-P405-P501a
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationPyridine, 2-(3-phenylpropyl)-: ACTIVE
Suppliers48 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
上海恬枫生物科技有限公司18221172427; 18221172427 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
湖北星耀生物医药技术有限责任公司17871673970 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
武汉拉那白医药化工有限公司027-81819291; 15307151931 · [email protected]
湖北省汉卿生物医药科技有限公司15827479330 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: 2-(3-Phenylpropyl)pyridine is a member of pyridines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…