Ethyl p-toluate

HCID 66743
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Basic information

CAS
94-08-6
Standard SMILES
CCOC(=O)c1ccc(C)cc1
InChIKey
NWPWRAWAUYIELB-UHFFFAOYSA-N
Molecular formula
C10H12O2
Average molar mass
164.2 g/mol
Monoisotopic mass
164.08372962

Names & identifiers

Preferred name
Ethyl p-toluate
IUPAC
ethyl 4-methylbenzoate
English name
Ethyl 4-methylbenzoate
Molecular formula
C10H12O2
Molecular weight
164.2

Names & synonyms

Ethyl 4-methylbenzoate94-08-6Ethyl p-toluateBenzoic acid, 4-methyl-, ethyl esterDTXSID5048211XUF0SQ8L2JEINECS 202-301-4NSC 24767NSC-24767AI3-31106DTXCID3028186Ethyl ptoluate
Show more names
94-08-6-PTE-ESTEREthyl-p-toluatETHYL 4-TOLUATEETHYL-PARA-TOLUATERARECHEM AL BI 0113Ethyl p-Toluate >Ethyl 4-methylbenzoaEthyl p-toluate, 98+%
RefChem:596362Benzoic acid, 4methyl, ethyl ester202-301-4Ethyl p-methylbenzoatep-Toluic acid ethyl ester4-Methylbenzoic Acid Ethyl EsterMFCD000091174-methyl-benzoic acid ethyl ester

Database identifiers

CAS
94-08-6
PubChem CID
66743
DTXSID
DTXSID5048211
ChEMBL
CHEMBL3186464
UNII
XUF0SQ8L2J
EC Number
202-301-4
Nikkaji
J47.823G

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
12

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesDiamagnetic susceptibility
Physical DescriptionClear liquid; [Acros Organics MSDS]

Physicochemical properties

Melting point
131 °C · 131 °C
Boiling point
235 °C · 235 °C(lit.)
Density
1.025 g/mL · 1.025 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.508(lit.)
Flash point
211 °F · 211 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzoic acid, 4-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk
3
hs_code
29163990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesEthyl 4-methylbenzoate was used in the synthesis of ethyl 4-(bromomethyl)benzoate.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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