Basic information
- CAS
23597-82-2- Standard SMILES
CCCCCCOC(=O)c1cccnc1- InChIKey
RVYGVBZGSFLJKH-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Hexyl nicotinate
- IUPAC
- hexyl pyridine-3-carboxylate
- English name
- Hexyl nicotinate
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
Hexyl nicotinate23597-82-23-Pyridinecarboxylic acid, hexyl esterNicotinic acid, hexyl esterHexyl 3-pyridinecarboxylateDTXSID3046245BN07PB44IVHYGROPLEX HHGNSC-72758DTXCID1026245Nicotinic Acid Hexyl EsterRefChem:788300
Show more names
Ai3-15769Einecs 245-767-4N-HEXYL NICOTINATEHexylNicotinate>n-Hexyl nicotinoateHexylNicotinate>98.0%(GC)
245-767-4Hexyl nicotinoatehexyl pyridine-3-carboxylateNicothermMFCD00023587NSC 72758HEXYL NICOTINATE [WHO-DD]N-hexyl nicotinoate
Database identifiers
- CAS
23597-82-2- PubChem CID
- 90202
- DTXSID
DTXSID3046245- ChEMBL
CHEMBL1474122- UNII
- BN07PB44IV
- EC Number
- 245-767-4
- Nikkaji
- J135.445K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 182
Experimental & physicochemical properties
CosmeticsAntistatic; Emollient
SpringerMaterials PropertiesSurface tension
LogP3.51
Physicochemical properties
- Boiling point
- 140 °C · 140°C
- Density
- 1 · 1,02 g/cm3
- refractive index
- 1.488 to · 1.4880 to 1.4920
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- pka
- 3.21 · 3.21±0.10(Predicted)
- color
- Colorless to Almost colorless
- Water Solubility
- 0.17 g/L · 0.17g/L(32 ºC)
- Cosmetics Ingredients Functions
- ANTISTATICSKIN CONDITIONING - EMOLLIENT
- LogP
- 3.51 · 3.510
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 45% (36 of 80) of reports.
Warning
H315 (53.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 80 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 3-Pyridinecarboxylic acid, hexyl ester
3-Pyridinecarboxylic acid, hexyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (53.8%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Antistatic; Emollient
General Manufacturing Information3-Pyridinecarboxylic acid, hexyl ester: ACTIVE
Applications
DescriptionHexyl Nicotinate is an active substance from the group of rubefacients that stimulates blood circulation. It is used for topical treatment of muscle, joint and ligament pain. Hexyl Nicotinate can be used in creams, baths and emulsions, in veterinary as well as in human medicines.
Useshexyl nicotinate penetrates rapidly and dilates blood vessels, thereby temporarily activating blood circulation. This increased blood flow results in an enhanced supply of oxygen, nutrients, and moisture to the skin cells, along with a faster elimination of wastes by means of the metabolic process.
UsesHexyl Nicotinoate is a nicotinic acid ester prodrug.
Upstream & downstream products
Upstream raw materials
Suppliers99 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…