邻茴香酸甲酯

Description

Methyl o-methoxybenzoate is identified by CAS 606-45-1, molecular formula C9H10O3 and molecular weight 166.06 g/mol. UNII SB18J2MCQL; ChEBI 173749; InChIKey PFYHAAAQPNMZHO-UHFFFAOYSA-N. Boiling Point: 254.00 to 255.00 °C. @ 760.00 mm Hg; Boiling Point: 246 °C; Melting Point: 48.00 to 49.00 °C. @ 760.00 mm Hg.

Identification

CAS Registry Number	606-45-1
PubChem CID	61151
Molecular formula	C9H10O3
Molecular weight	166.06 g/mol
IUPAC name	methyl 2-methoxybenzoate
InChIKey	PFYHAAAQPNMZHO-UHFFFAOYSA-N
UNII (FDA)	SB18J2MCQL
ChEBI ID	CHEBI:173749
FEMA number	2717
JECFA number	880

Computed Descriptors

Molecular Weight	166.17
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	35.5
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Boiling Point	254.00 to 255.00 °C. @ 760.00 mm Hg
Boiling Point	246 °C
Melting Point	48.00 to 49.00 °C. @ 760.00 mm Hg
Density	1.144-1.160
LogP	2.04
Refractive Index	1.529-1.537

Physical description & handling notes

• colourless or pale yellow liquid with a warm, herbaceous, floral, spicy odour
• very slightly soluble in water; soluble in organic solvents, oils
• miscible at room temperature (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	85.2% (236 / 277)

GHS Hazard Classification

GHS notification summary	85.2% (236 / 277)
Reported hazard statements	H315 (14.8%), H319 (14.8%), H335 (14.4%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 1 consumer products that contain Methyl O-Anisate in the following categories is provided:
• Benzoic acid, 2-methoxy-, methyl ester: ACTIVE

Synonyms

Methyl 2-methoxybenzoate; 606-45-1; Methyl o-anisate; Dimethyl salicylate; Methyl o-methoxybenzoate; BENZOIC ACID, 2-METHOXY-, METHYL ESTER; Methoxy methylbenzoate, o-; FEMA No. 2717; UNII-SB18J2MCQL; methyl ortho-anisate; EINECS 210-118-6; DTXSID5047087; SB18J2MCQL; BRN 2207356; AI3-00680; O-Methoxy methylbenzoate

Frequently Asked Questions

What are the CAS number and molecular formula of Methyl o-methoxybenzoate?

CAS 606-45-1; molecular formula C9H10O3; molecular weight 166.06 g/mol.

What other names is Methyl o-methoxybenzoate known by?

Methyl 2-methoxybenzoate, 606-45-1, Methyl o-anisate, Dimethyl salicylate, Methyl o-methoxybenzoate, BENZOIC ACID, 2-METHOXY-, METHYL ESTER.

What is the regulatory status of Methyl o-methoxybenzoate?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Methyl o-methoxybenzoate classified as hazardous?

85.2% of GHS notifications report no hazard classification (236 of 277).

What are the key physical properties of Methyl o-methoxybenzoate?

Boiling Point: 254.00 to 255.00 °C. @ 760.00 mm Hg; Boiling Point: 246 °C; Melting Point: 48.00 to 49.00 °C. @ 760.00 mm Hg; Density: 1.144-1.160.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.