Methyl nicotinate

Modify Date: 2026-07-02 18:20:21

Methyl nicotinate structure	Common Name	Methyl nicotinate
	CAS Number	93-60-7	Molecular Weight	137.136
	Density	1.1±0.1 g/cm3	Boiling Point	209.0±0.0 °C at 760 mmHg
	Molecular Formula	C₇H₇NO₂	Melting Point	42-44 °C(lit.)
	MSDS	Chinese USA	Flash Point	95.6±0.0 °C
	Symbol	GHS07	Signal Word	Warning

Use of Methyl nicotinate

Methyl nicotinate, the methyl ester of Niacin found in alcoholic beverages, that is used as an active ingredient as a rubefacient in over-the-counter topical preparations indicated for muscle and joint pain[1].

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	Methyl nicotinate
Synonym	More Synonyms

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description	Methyl nicotinate, the methyl ester of Niacin found in alcoholic beverages, that is used as an active ingredient as a rubefacient in over-the-counter topical preparations indicated for muscle and joint pain[1].
Related Catalog	Signaling Pathways >> Others >> Others Research Areas >> Inflammation/Immunology
References	[1]. L. Johnston, et al. Muscle and joint pain: topical anti-inflammatories and analgesics: therapeutic. Professional Nursing Today, Volume 17, Issue 1, Jan 2013, p. 4-5.

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.1±0.1 g/cm3
Boiling Point	209.0±0.0 °C at 760 mmHg
Melting Point	42-44 °C(lit.)
Molecular Formula	C₇H₇NO₂
Molecular Weight	137.136
Flash Point	95.6±0.0 °C
Exact Mass	137.047684
PSA	39.19000
LogP	0.88
Vapour Pressure	0.2±0.4 mmHg at 25°C
Index of Refraction	1.511
InChIKey	YNBADRVTZLEFNH-UHFFFAOYSA-N
SMILES	COC(=O)c1cccnc1
Water Solubility	NEGLIGIBLE

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Methyl nicotinate MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QT1925000

CHEMICAL NAME :: Nicotinic acid, methyl ester

CAS REGISTRY NUMBER :: 93-60-7

BEILSTEIN REFERENCE NO. :: 0113951

LAST UPDATED :: 199712

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C7-H7-N-O2

MOLECULAR WEIGHT :: 137.15

WISWESSER LINE NOTATION :: T6NJ CVO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,428,1948

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 7,691,1955 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80460 No. of Facilities: 100 (estimated) No. of Industries: 3 No. of Occupations: 7 No. of Employees: 2857 (estimated)

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi:Irritant
Risk Phrases	R36/38
Safety Phrases	S26-S36-S37/39
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	QT1925000
HS Code	2936290090

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 10
CAS#:15905-18-7 Methyl nicotina... CAS#:626-55-1 3-Bromopyridine CAS#:67-56-1 Methanol CAS#:201230-82-2 carbon monoxide
CAS#:500-22-1 Nicotinaldehyde CAS#:59-67-6 Nicotinic acid CAS#:4525-33-1 Velcorin CAS#:5674-02-2 isobutylmagnesi...
CAS#:121505-93-9 N-Boc-glycine N... CAS#:107658-27-5 3-pyridyl trifl...
DownStream 10
CAS#:10472-95-4 1,3-Propanedion... CAS#:104932-96-9 methyl 1-phenac... CAS#:110307-23-8 methyl 2-(4-flu... CAS#:105619-13-4 dimethyl 4-meth...
CAS#:33284-21-8 2,2,2-Trifluoro... CAS#:5470-70-2 Methyl 6-methyl... CAS#:69971-44-4 Methyl 4,6-dime... CAS#:33402-75-4 Methyl 4-methyl...
CAS#:67367-26-4 Methyl 2-methox... CAS#:26218-80-4 Methyl 6-methox...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2933399090
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

This table lists relevant public references with title, journal and publication metadata for this compound.

cIEF for rapid pKa determination of small molecules: a proof of concept.

Eur. J. Pharm. Sci. 63 , 14-21, (2014)

A capillary isoelectric focusing (cIEF) method was developed for the determination of the ionization constants (pKa) of small molecules. Two approaches used to decrease the electroosmotic flow (EOF) w...

Parallel artificial membrane permeability assay: a new membrane for the fast prediction of passive human skin permeability.

J. Med. Chem. 49 , 3948-54, (2006)

This work was devoted to the search for new artificial membranes allowing a rapid evaluation of passive human skin permeation of compounds with a parallel artificial membrane permeability assay (PAMPA...

In silico and in vitro filters for the fast estimation of skin permeation and distribution of new chemical entities.

J. Med. Chem. 50 , 742-8, (2007)

The development of in silico and in vitro tools to estimate or predict the passive human skin permeation and distribution of new chemical entities, useful in dermal drug delivery, in absorption studie...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: Membrane permeability, CA(t)/CD(0) in 70% silicon-30% IPM membrane
Source: ChEMBL
Target: N/A
External Id: CHEMBL865960

Name: Effective permeability coefficient in 70% silicon-30% IPM membrane
Source: ChEMBL
Target: N/A
External Id: CHEMBL865961

Name: Dissociation constant, pKa of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL865962

Name: Membrane retention in 70% silicon-30% IPM membrane
Source: ChEMBL
Target: N/A
External Id: CHEMBL865959

Name: Permeability in human skin
Source: ChEMBL
Target: Homo sapiens
External Id: CHEMBL865441

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Total 283, Current Page 1 of 29

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

EINECS 202-261-8

NIACIN METHYL ESTER

Methyl nictinate

Methylpyridin-3-carboxylat

3-methoxycarbonylpyridine

nicotinic acid methyl ester

methylnicotinicacid

3-pyridinecarboxylic acid methyl ester

MFCD00006388

3-Pyridinecarboxylic acid, methyl ester

methyl 3-nicotinate

Methyl nicotinate

Nikomet

FEMA 3709

pyridine-3-carboxylic acid methyl ester

Nicometh

methyl 3-pyridinecarboxylate

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the molecular formula of Methyl nicotinate?

A: Molecular formula of Methyl nicotinate is C7H7NO2.

Q: What are the uses of Methyl nicotinate?

A: Main uses of Methyl nicotinate: Methyl nicotinate, the methyl ester of Niacin found in alcoholic beverages, that is used as an active ingredient as a rubefacient in over-the-counter topical preparations indicated for muscle and joint pain[1].

Q: What is the molecular weight of Methyl nicotinate?

A: Molecular weight of Methyl nicotinate is 137.136.

Q: What is the safety information for Methyl nicotinate?

A: Safety information for Methyl nicotinate: S26-S36-S37/39.

Q: What are the upstream materials of Methyl nicotinate?

A: Related upstream materials(CAS) of Methyl nicotinate: 15905-18-7;626-55-1;67-56-1;201230-82-2;500-22-1;59-67-6;4525-33-1;5674-02-2;121505-93-9;107658-27-5.

Q: What is the melting point of Methyl nicotinate?

A: Melting point of Methyl nicotinate is 42-44 °C(lit.).

Q: What is the English name of Methyl nicotinate?

A: The English name of Methyl nicotinate is Methyl nicotinate.

Q: What is the CAS number of Methyl nicotinate?

A: CAS number of Methyl nicotinate is 93-60-7.

Q: What is the polar surface area (PSA) of Methyl nicotinate?

A: Polar surface area (PSA) of Methyl nicotinate is 39.19000.

Q: What English synonyms does Methyl nicotinate have?

A: English synonyms of Methyl nicotinate: EINECS 202-261-8, NIACIN METHYL ESTER, Methyl nictinate, Methylpyridin-3-carboxylat, 3-methoxycarbonylpyridine, nicotinic acid methyl ester, methylnicotinicacid, 3-pyridinecarboxylic acid methyl ester, MFCD00006388, 3-Pyridinecarboxylic acid, methyl ester, methyl 3-nicotinate, Methyl nicotinate, Nikomet, FEMA 3709, pyridine-3-carboxylic acid methyl ester, Nicometh, methyl 3-pyridinecarboxylate.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

Henan Tianfu Chemical Co., Ltd.

Zhongshan Xingrui Chemical Co. , Ltd.

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Methyl nicotinate
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Methyl nicotinate
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Henan Tianfu Chemical Co., Ltd.
China
Product Name: Methyl nicotinate
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

Zhongshan Xingrui Chemical Co. , Ltd.
China
Product Name: Methyl nicotinate
Price: ￥Inquiry/25kg
Purity: 99.0%
Delivery: Inquiry
Contact: Wang Jie
Email: 3096638339@qq.com

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