Basic information
- CAS
4112-89-4- Standard SMILES
COc1ccccc1OC(=O)Cc1ccccc1- InChIKey
KNVYLIIBQXVDKC-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Overview
Guaicyl phenylacetate is a member of phenols and a benzoate ester.
Names & identifiers
- Preferred name
- 2-Methoxyphenyl benzeneacetate
- IUPAC
- (2-methoxyphenyl) 2-phenylacetate
- English name
- FEMA 2535
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
Guaiacyl phenylacetate4112-89-4Benzeneacetic acid, 2-methoxyphenyl esterFEMA No. 2535Acetic acid, phenyl-, O-methoxyphenyl esterLLO759386WDTXSID1063306RefChem:7827662-Methoxyphenyl benzeneacetateDTXCID9039864FEMA 2535Guaiacol phenylacetate
Show more names
Gu-NylGuaiafenoloGUAIACOL PHENYL ACETATEGUAIACYL PHENYL ACETATE 98%esterguaiacyl phenylacetateGUAIACYL PHENYLACETATE 98+%
2-METHOXYPHENYL PHENYLACETATE(2-methoxyphenyl) 2-phenylacetateGuaiacyl phenyl acetateGuaicyl phenylacetate2-methoxyphenyl 2-phenylacetateO-Methoxyphenyl phenylacetateGujaphenylGunyl
Database identifiers
- CAS
4112-89-4- PubChem CID
- 61331
- DTXSID
DTXSID1063306- ChEBI
CHEBI:173746- UNII
- LLO759386W
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 258
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Guaiacyl phenylacetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water
very soluble (in ethanol)
Boiling Point
150.00 °C. @ 0.40 mm Hg
201 °C (2 mm Hg)
Melting Point32 °C
Physical Description
Solid
Amber viscous liquid. When pure it forms colourless crystals with heavy, rather dry, woody, herbaceous odour
Physicochemical properties
- Melting point
- 40 · 40-43 °C(lit.)
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 100% (90 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzeneacetic acid, 2-methoxyphenyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzeneacetic acid, 2-methoxyphenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- Storage Class
- 11 - Combustible Solids
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 InformationBenzeneacetic acid, 2-methoxyphenyl ester: ACTIVE
Applications
DescriptionGuaiacyl phenylacetate has a heavy, dry, woody, herbaceous odor and a woody, spicy, smoky flavor. This may be synthesized from phenylacetyl chloride and guaiacol in aqueous alkaline solution or using pyridine.
Suppliers25 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
清宁生物（江苏博泉生物科技有限公司）王 19352250998 13160238781 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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