Ethyl nicotinate
- Iupac Name：ethyl pyridine-3-carboxylate
- CAS No.: 614-18-6
- Molecular Weight：151.16256
- Modify Date.: 2022-11-29 07:46
- Introduction: Ethyl nicotinate is a nicotinic acid derivative used for skin-conditioning cosmetics. Ethyl nicotinate Preparation Products And Raw materials Preparation Products
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1. Names and Identifiers
- 1.1 Name
- Ethyl nicotinate
- 1.2 Synonyms
2,4-dimethoxy-N-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline 2-ethylpyridine-3-carboxylic acid 3-(Ethoxycarbonyl)pyridine 3-Carbethoxypyridine 3-pyridinecarboxylic acid ethyl ester 3-Pyridinecarboxylic acid, ethyl ester Apamid EINECS 210-370-7 ETHYL 3-PYRIDINECARBOXYLATE Ethyl Nicontinate ETHYL PYRIDINE-3-CARBOXYLATE Ethylpyridin-3-carboxylat Ignicut Ignocut MFCD00006389 Mucotherm Nicaethan NICOTINIC ACID ETHYL ESTER NICOTINIC ACID, ETHYL ESTER Nicotinic acid, ethyl ester (8CI) nicotinic ethyl ester Nikethan Nikithan pyridine-3-carboxylic acid ethyl ester RARECHEM AL BI 0185 Β-Pyridinecarboxylic acid ethyl ester
- 1.3 CAS No.
- 614-18-6
- 1.4 CID
- 69188
- 1.5 EINECS(EC#)
- 210-370-7
- 1.6 Molecular Formula
- C8H9NO2 (isomer)
- 1.7 Inchi
- InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3
- 1.8 InChkey
- XBLVHTDFJBKJLG-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- CCOC(=O)C1=CN=CC=C1
- 1.10 Isomers Smiles
- CCOC(=O)C1=CN=CC=C1
2. Properties
- 2.1 Density
- 1.107
- 2.1 Melting point
- 8-9.5℃
- 2.1 Boiling point
- 223-224℃
- 2.1 Refractive index
- 1.5019-1.504
- 2.1 Flash Point
- 93℃
- 2.1 Precise Quality
- 151.06300
- 2.1 PSA
- 39.19000
- 2.1 logP
- 1.25830
- 2.1 Solubility
- 50g/l
- 2.2 Appearance
- light yellow
- 2.3 Storage
- Ambient temperatures.
- 2.4 Chemical Properties
- clear colourless to yellow liquid
- 2.5 Color/Form
- light yellow
- 2.6 pKa
- pK1:3.35(+1) (25°C)
- 2.7 Water Solubility
- Micible with water.
- 2.8 Stability
- Stable under normal temperatures and pressures.
- 2.9 StorageTemp
- Store below +30°C.
3. Use and Manufacturing
- 3.1 Usage
- Ethyl nicotinate is a nicotinic acid derivative used for skin-conditioning cosmetics. Ethyl nicotinate Preparation Products And Raw materials Preparation Products
4. Safety and Handling
- 4.1 Symbol
- GHS05;GHS07;
- 4.1 Hazard Codes
- Xi
- 4.1 Signal Word
- DANGER
- 4.1 Risk Statements
- R36/38
- 4.1 Safety Statements
- S26;S37/39
- 4.1 Hazard Declaration
- H315; H318; H335
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 Caution Statement
- P261; P280; P305 + P351 + P338
- 4.1 WGK Germany
- 3
- 4.1 Safety
-
Safety Information of Ethyl nicotinoate(CAS NO.614-18-6):
Hazard Codes: 
Xi
Risk Statements: 37/38-41-36/38-36/37/38
37/38:Irritating to respiratory system and skin?
41:Risk of serious damage to eyes?
36/38:Irritating to eyes and skin?
36/37/38:Irritating to eyes, respiratory system and skin??
Safety Statements: 26-39-37/39-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
39:Wear eye/face protection?
37/39:Wear suitable gloves and eye/face protection
36:Wear suitable protective clothing???
- 4.2 Specification
-
?Ethyl nicotinoate (CAS NO.614-18-6) should be stored in a cool and?a tightly closed container, can be?used in organic synthesis.
- 4.3 Toxicity
- LD50 orally in Rabbit: > 2005 mg/kg
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Eye irritation, Category 2
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H319 Causes serious eye irritation |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
614-18-6Total: 43 Synthesis Route
9. Other Information
- 9.0 Mesh Entry Terms
- 3-carboethoxypyridine
- 9.1 Manufacturing Info
- 3-Pyridinecarboxylic acid, ethyl ester: ACTIVE
- 9.2 Use Classification
- Food additives -> Flavoring Agents|Cosmetics -> Skin conditioning
- 9.3 BRN
- 122937
- 9.4 Chemical Properties
- clear colourless to yellow liquid
- 9.5 Uses
- Ethyl nicotinate is a nicotinic acid derivative used for skin-conditioning cosmetics.
- 9.6 Usage
- Ethyl nicotinate is used for skin-conditioning cosmetics. It is principally used in medicine as a local vasodilator at a concentration of 1 to 2 % in creams, ointments and pomades. It is utilized for the treatment sprains, wrenches, muscular pains and tendonitis.
10. Computational chemical data
- Molecular Weight: 151.16256g/mol
- Molecular Formula: C8H9NO2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 151.063328530
- Monoisotopic Mass: 151.063328530
- Complexity: 136
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 39.2
- Heavy Atom Count: 11
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAAAAAADADhmgY+iJIIFACoAjD3TACCgCA1AiAI2CE4bNgIJvrAtZmGMYhmwAHI6caYEQIMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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