Ethyl (p-tolyloxy)acetate

HCID 4047281

Basic information

CAS
67028-40-4
Standard SMILES
CCOC(=O)COc1ccc(C)cc1
InChIKey
UMNOIMVMNARUSB-UHFFFAOYSA-N
Molecular formula
C11H14O3
Average molar mass
194.23 g/mol
Monoisotopic mass
194.09429431

Overview

Ethyl 4-methylphenoxyacetate is a monocarboxylic acid.

Names & identifiers

Preferred name
Ethyl (p-tolyloxy)acetate
IUPAC
ethyl 2-(4-methylphenoxy)acetate
English name
(4-METHYLPHENOXY) ACETIC ACID ETHYL ESTER
Molecular formula
C11H14O3
Molecular weight
194.23

Names & synonyms

67028-40-4Ethyl (4-methylphenoxy)acetateethyl 2-(4-methylphenoxy)acetateEthyl (p-tolyloxy)acetateEthyl p-cresoxyacetateethyl 4-methylphenoxyacetatecherry oxyacetate(4-Methylphenoxy) acetic acid ethyl esterEthyl P-tolyloxyacetateFEMA No. 3157Acetic acid, p-tolyloxy-, ethyl esterAcetic acid, (4-methylphenoxy)-, ethyl ester
Show more names
Ethyl(p-tolyloxy)acetateETHYLPARA-CRESOXYACETATEETHYL(PARA-TOLYLOXY)ACETATEEthyl 2-(p-tolyloxy)acetate2-(4-Methylphenoxy)butanoateEthyl(4-Methylphenoxy)acetate>p-Tolyloxyacetic acid ethyl ester
Acetic acid, 2-(4-methylphenoxy)-, ethyl esterDTXSID8047428EINECS 266-554-2B0Y0J494AJAI3-11229p-Tolyloxyacetic acid ethyl esterDTXCID6027428ETHYL (P-TOLYLOXY)ACETATE [FHFI]

Database identifiers

CAS
67028-40-4
PubChem CID
4047281
DTXSID
DTXSID8047428
ChEMBL
CHEMBL3186260
ChEBI
CHEBI:168029
UNII
B0Y0J494AJ
EC Number
266-554-2
Nikkaji
J59.925E

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
14

Experimental & physicochemical properties

FragrancesFragrance Ingredient (Ethyl (p-tolyloxy)acetate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.075-1.080 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility · 2 items

Insoluble in water and oil

Miscible at room temperature (in ethanol)

Boiling Point · 2 items

120.00 to 121.00 °C. @ 1.00 mm Hg

120 - 121 °C

Physicochemical properties

Boiling point
142 · 142-142°C 11mm
Density
1.078 g/mL · 1.078 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.502(lit.)
FEMA
3157 · 3157 | ETHYL (P-TOLYLOXY)ACETATE
FLAVIS Number
9.797 · 09.797 | Ethyl (p-tolyloxy)acetate
Flash point
113 °C · 113 °C

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 98.9% (91 of 92) of all reports.

Not Classified

Aggregated GHS information provided per 92 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 4 items

Chemical: Acetic acid, (4-methylphenoxy)-, ethyl ester

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

REACH registered substance: Ethyl (4-methylphenoxy)acetate (EC: 266-554-2)

Acetic acid, (4-methylphenoxy)-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Safety data

tsca
TSCA listed
hs_code
2918.99.4700
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
REACH Registrations
Active

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

Use Classification · 4 items

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationAcetic acid, 2-(4-methylphenoxy)-, ethyl ester: ACTIVE

Suppliers49 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Aladdin Scientific[email protected]

Additional notes

DefinitionChEBI: Ethyl 4-methylphenoxyacetate is a monocarboxylic acid.

Related reactions

9 records

Compound notes

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