Methyl 4-formyl-2-methylbenzoate

HCID 20134203

Notes Reactions

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Basic information

CAS: 74733-23-6
Standard SMILES: COC(=O)c1ccc(C=O)cc1C
InChIKey: LHJKZERUIPGPCK-UHFFFAOYSA-N
Molecular formula: C10H10O3
Average molar mass: 178.18 g/mol
Monoisotopic mass: 178.06299418

Names & identifiers

Preferred name: Methyl 4-formyl-2-methylbenzoate
IUPAC: methyl 4-formyl-2-methylbenzoate
English name: Methyl 4-forMyl-2-Methylbenzoate
Molecular formula: C10H10O3
Molecular weight: 178.18

Names & synonyms

methyl 4-formyl-2-methylbenzoate74733-23-6RefChem:816434823-623-7MFCD22380496methyl 4-formyl-2-methyl-benzoatemethyl-p-epoxymethylbenzoateSCHEMBL497789methyl4-formyl-2-methylbenzoateLHJKZERUIPGPCK-UHFFFAOYSA-NXH0489AKOS027254958

Show more names

2-methylthiazole-6-carboxylic acidBenzoic acid, 4-formyl-2-methyl-, methyl ester

AS-40991SY128441DB-1252624-Formyl-2-methyl-benzoic Acid Methyl EsterCS-01884284-formyl-2-methyl-benzoic acid, methyl esterEN300-399611F471906

Database identifiers

CAS: 74733-23-6
PubChem CID: 20134203
EC Number: 823-623-7

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 200

Physicochemical properties

Boiling point: 288.2 · 288.2±28.0 °C(Predicted)
Density: 1.147 · 1.147±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
Appearance: Colorless to off-white Solid-Liquid Mixture
InChI: InChI=1S/C10H10O3/c1-7-5-8(6-11)3-4-9(7)10(12)13-2/h3-6H,1-2H3
InChIKey: LHJKZERUIPGPCK-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(C=O)C=C1C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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 · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers63 total

上海康恩博医药科技有限公司17510465506 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

无锡恩桥医药科技有限公司+8613812269233 · [email protected]

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

Related reactions

20 records

New reaction record

HRID 111995As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 146240As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 307613As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 315108As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 386740As reactantuspto-grants-2013_02

HRID 424801As productuspto-grants-2012_01

HRID 424807As reactantuspto-grants-2012_01

HRID 424818As reactantuspto-grants-2012_01

Compound notes

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