Ethyl m-toluate

HCID 67117
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
120-33-2
Standard SMILES
CCOC(=O)c1cccc(C)c1
InChIKey
WSJNYOVBJSOQST-UHFFFAOYSA-N
Molecular formula
C10H12O2
Average molar mass
164.2 g/mol
Monoisotopic mass
164.08372962

Names & identifiers

Preferred name
Ethyl m-toluate
IUPAC
ethyl 3-methylbenzoate
English name
Ethyl 3-methylbenzoate
Molecular formula
C10H12O2
Molecular weight
164.2

Names & synonyms

Ethyl 3-methylbenzoateEthyl m-toluateBenzoic acid, 3-methyl-, ethyl esterAI3-30145DTXSID70152641EINECS 204-386-3NSC 20009RefChem:596254DTXCID2075132204-386-3120-33-2Ethyl m-methylbenzoate
Show more names
EhylEthyl m<ETHYL 3-TOLUATERARECHEM AL BI 0073Ethyl m-toluate 99%metamethyl benzoateEthyl m-toluate, 98+%
3-Methylbenzoic acid ethyl ester3-Methyl-benzoic acid ethyl esterEthyl-3-methylbenzoateH3AK4M7DH5MFCD00009114Ethyl m-toluate, 99%m-Toluic acid, ethyl esterSCHEMBL570920

Database identifiers

CAS
120-33-2
PubChem CID
67117
DTXSID
DTXSID70152641
UNII
H3AK4M7DH5
EC Number
204-386-3
Nikkaji
J136.974A

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
12

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1246

1294.2

Physicochemical properties

Boiling point
110 °C · 110 °C (20 mmHg)
Density
1.03 g/mL · 1.03 g/mL at 25 °C(lit.)
refractive index
1.5055 · 1.5055-1.5075
Flash point
101 °C · 101 °C
storage temp.
Store at room temperature
form
liquid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: Benzoic acid, 3-methyl-, ethyl ester

Benzoic acid, 3-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Regulatory information

Regulatory Information · 2 items

Chemical: Benzoic acid, 3-methyl-, ethyl ester

Benzoic acid, 3-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications

UsesEthyl m-toluate may be used in chemical synthesis.

Upstream & downstream products

Suppliers100 total

常州帝通化工有限公司+86-0519-88298848 · [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153-07155313 15307155313 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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