Ethyl anisate (HCID 60979)

Overview

Ethyl p-anisate is a methoxybenzoic acid.

Names & identifiers

Preferred name: Ethyl anisate
IUPAC: ethyl 4-methoxybenzoate
English name: Ethyl 4-methoxybenzoate
Molecular formula: C10H12O3
Molecular weight: 180.2

Names & synonyms

Ethyl 4-methoxybenzoate94-30-4Ethyl p-anisateEthyl anisateEthyl p-methoxybenzoatep-Anisic acid, ethyl esterBENZOIC ACID, 4-METHOXY-, ETHYL ESTERp-Anisic Acid Ethyl EsterFEMA No. 2420Benzoic acid, p-methoxy-, ethyl esterNSC 4160EINECS 202-320-8

Show more names

FEMA 2420ETHYL-P-METHOXY BENZOATEp-Methoxybenzoic acid, ethyl esterEthylanisatETHYL-4-ANISATEEthyl p-anisoateETHYLPARA-ANISATE

KJ95H2S7NMBRN 2209700AI3-00648NSC-4160ETHYL P-ANISATE [FCC]ETHYL P-ANISATE [FHFI]DTXSID40590994-10-00-00368 (Beilstein Handbook Reference)

Database identifiers

CAS: 94-30-4
PubChem CID: 60979
DTXSID: DTXSID4059099
ChEMBL: CHEMBL2260709
ChEBI: CHEBI:173859
UNII: KJ95H2S7NM
EC Number: 202-320-8
Nikkaji: J33.854K

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 160

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

FragrancesFragrance Ingredient (Ethyl p-anisate) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.101-1.105

Flavoring AgentsEU Flavoring substances

Solubility · 2 items

insoluble in water; soluble in organic solvents, oils

miscible at room temperature (in ethanol)

Physicochemical properties

Melting point: 7 · 7-8 °C(lit.)
Boiling point: 263 °C · 263 °C(lit.)
Density: 1.103 g/mL · 1.103 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.524(lit.)
FEMA: 2420 · 2420 | ETHYL P-ANISATE
FLAVIS Number: 9.714 · 09.714 | Ethyl 4-methoxybenzoate
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless liquid
Odor: fruity,anise odor
Odor Type: anisic
biological source: synthetic
JECFA Number: 885 · 885
BRN: 2209700 · 2209700
Major Application: flavors and fragrances
Cosmetics Ingredients Functions: PERFUMING
InChI: 1S/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3
InChIKey: FHUODBDRWMIBQP-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccc(OC)cc1
LogP: 2.8 · 2.80
CAS DataBase Reference: 94 · 94-30-4(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS): ETHYL P-ANISATE
EWG's Food Scores: 1 · 1
FDA UNII: 95 H2S7NM · KJ95H2S7NM
NIST Chemistry Reference: 4 · Benzoic acid, 4-methoxy-, ethyl ester(94-30-4)
EPA Substance Registry System: 4 · Benzoic acid, 4-methoxy-, ethyl ester (94-30-4)
UNSPSC Code: 12164502 · 12164502
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 303 · H303
Precautionary statements: 270 · P270-P301+P312-P403-P501c
Safety Statements: 24 · 24/25
WGK Germany: 2 · 2
RTECS: 4697000 · BZ4697000
TSCA: TSCA listed
HS Code: 29189900 · 29189900
Storage Class: 10 · 10 - Combustible liquids
Toxicity: 50 orl-rat: · LD50 orl-rat: 2040 mg/kg FCTXAV 14,659,76

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (138 of 138) of all reports.

Not Classified

Aggregated GHS information provided per 138 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Benzoic acid, 4-methoxy-, ethyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Benzoic acid, 4-methoxy-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzoic acid, 4-methoxy-, ethyl ester: Environment tier I assessment

Hazard Classes and CategoriesNot Classified

Safety data

wgk: 2
tsca: TSCA listed
rtecs: BZ4697000
hs_code: 29189900
Toxicity: LD50 orl-rat: 2040 mg/kg FCTXAV 14,659,76
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H303
Precautionary statements: P270-P301+P312-P403-P501c

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

Use Classification · 5 items

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzoic acid, 4-methoxy-, ethyl ester: ACTIVE

Applications

OccurrenceReported found in feijoa fruit, rum, white wine, plum (fresh), starfruit and guava.

Usesflavors and fragrances

Preparation methods

PreparationBy esterification of anisic acid with ethanol in the presence of an acid catalyst.

Upstream & downstream products

Upstream raw materials

Downstream products

4-Methylanisole 4-(Methylsulfonyl)-2-nitroaniline 7-Chloro-2-(4-methoxy-phenyl)-3,5-dimethyl-pyrazolo[1,5-a]pyrimidine

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Additional notes

DefinitionChEBI: Ethyl p-anisate is a methoxybenzoic acid.

Related reactions

19 records

New reaction record

HRID 8497As reactantuspto-grants-2006_08

HRID 85875As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 558331As reactantuspto-grants-2011_11

HRID 639380As reactantuspto-grants-2010_04

HRID 646285As reactantuspto-grants-2010_04

HRID 666650As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 723998As reactantuspto-grants-2006_11

HRID 730033As reactantuspto-grants-2009_09

Linked notes

Loading…

Basic information