Ethyl phenylglyoxylate

CAT: 0286-E13940-01Size: 5 gDry Ice: NoHazardous: No

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CAS Number

1603-79-8

Synonyms

Ethyl benzoylformate; Phenylglyoxylic acid ethyl ester

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00009120

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Ethyl benzoylformate

Ethyl phenylglyoxylate is the ethyl ester of phenylglyoxylic acid. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is functionally related to a phenylglyoxylic acid.

CAS Number	1603-79-8
PubChem CID	15349
IUPAC Name	ethyl 2-oxo-2-phenylacetate
Molecular Formula	C10H10O3
Molecular Weight	178.18
XLogP	2
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	192

SMILES

CCOC(=O)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

QKLCQKPAECHXCQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1603-79-8

CID: 15349

Formula: C10H10O3

MW: 178.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	178.18
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	178.062994177
Monoisotopic Mass	178.062994177
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	192
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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591816	Ethyl phenylglyoxylate
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Ethyl phenylglyoxylate

Chemical Information

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