Carboxylic acid esters

Organic compounds that are directly derived from carboxylic acid, and contain an ester functional group substitution; ester groups contain an oxygen atom that is bonded to two carbon atoms or organic groups via single bonds.

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alpha-Angelicalactone, 98%

CAS: 591-12-8 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.10 MDL Number: MFCD00005375 InChI Key: QOTQFLOTGBBMEX-UHFFFAOYSA-N Synonym: alpha-angelica lactone,alpha-angelicalactone,5-methyl-2 3h-furanone,5-methylfuran-2 3h-one,2 3h-furanone, 5-methyl,4-hydroxypent-3-enoic acid lactone,delta 2-angelica lactone,4-hydroxy-3-pentenoic acid gamma-lactone,gamma-methyl-beta,gamma-crotonolactone,.alpha.-angelica lactone PubChem CID: 11559 ChEBI: CHEBI:36433 IUPAC Name: 5-methyl-3H-furan-2-one SMILES: CC1=CCC(=O)O1

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Specifications

PubChem CID	11559
CAS	591-12-8
Molecular Weight (g/mol)	98.10
ChEBI	CHEBI:36433
MDL Number	MFCD00005375
SMILES	CC1=CCC(=O)O1
Synonym	alpha-angelica lactone,alpha-angelicalactone,5-methyl-2 3h-furanone,5-methylfuran-2 3h-one,2 3h-furanone, 5-methyl,4-hydroxypent-3-enoic acid lactone,delta 2-angelica lactone,4-hydroxy-3-pentenoic acid gamma-lactone,gamma-methyl-beta,gamma-crotonolactone,.alpha.-angelica lactone
IUPAC Name	5-methyl-3H-furan-2-one
InChI Key	QOTQFLOTGBBMEX-UHFFFAOYSA-N
Molecular Formula	C5H6O2

Dimethyl oxalate, 99%

CAS: 553-90-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.09 MDL Number: MFCD00008442 InChI Key: LOMVENUNSWAXEN-UHFFFAOYSA-N Synonym: methyl oxalate,ethanedioic acid, dimethyl ester,oxalic acid dimethyl ester,dimethyloxalate,oxalic acid, dimethyl ester,dimethyl ethanedioate,unii-iq3q79344s,ethanedioic acid, 1,2-dimethyl ester,dimethyl ethane-1,2-dioate,dimethyl ester of oxalic acid PubChem CID: 11120 ChEBI: CHEBI:6859 IUPAC Name: dimethyl oxalate SMILES: COC(=O)C(=O)OC

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Specifications

PubChem CID	11120
CAS	553-90-2
Molecular Weight (g/mol)	118.09
ChEBI	CHEBI:6859
MDL Number	MFCD00008442
SMILES	COC(=O)C(=O)OC
Synonym	methyl oxalate,ethanedioic acid, dimethyl ester,oxalic acid dimethyl ester,dimethyloxalate,oxalic acid, dimethyl ester,dimethyl ethanedioate,unii-iq3q79344s,ethanedioic acid, 1,2-dimethyl ester,dimethyl ethane-1,2-dioate,dimethyl ester of oxalic acid
IUPAC Name	dimethyl oxalate
InChI Key	LOMVENUNSWAXEN-UHFFFAOYSA-N
Molecular Formula	C4H6O4

n-Hexyl methacrylate, 97%, stab. with 100ppm 4-methoxyphenol

CAS: 142-09-6 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD00015283 InChI Key: LNCPIMCVTKXXOY-UHFFFAOYSA-N Synonym: hexyl methacrylate,n-hexyl methacrylate,hexyl 2-methyl-2-propenoate,methacrylic acid, hexyl ester,2-propenoic acid, 2-methyl-, hexyl ester,unii-538b2q3hsv,ccris 4824,hexyl 2-methylacrylate,methacrylic acid hexyl ester,dsstox_cid_5406 PubChem CID: 8872 IUPAC Name: hexyl 2-methylprop-2-enoate SMILES: CCCCCCOC(=O)C(C)=C

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Specifications

PubChem CID	8872
CAS	142-09-6
Molecular Weight (g/mol)	170.25
MDL Number	MFCD00015283
SMILES	CCCCCCOC(=O)C(C)=C
Synonym	hexyl methacrylate,n-hexyl methacrylate,hexyl 2-methyl-2-propenoate,methacrylic acid, hexyl ester,2-propenoic acid, 2-methyl-, hexyl ester,unii-538b2q3hsv,ccris 4824,hexyl 2-methylacrylate,methacrylic acid hexyl ester,dsstox_cid_5406
IUPAC Name	hexyl 2-methylprop-2-enoate
InChI Key	LNCPIMCVTKXXOY-UHFFFAOYSA-N
Molecular Formula	C10H18O2

Ethylene glycol dimethacrylate, 98%, stab. with 100ppm 4-methoxyphenol

CAS: 97-90-5 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00008590 InChI Key: STVZJERGLQHEKB-UHFFFAOYSA-N Synonym: ethylene glycol dimethacrylate,ethylene dimethacrylate,glycol dimethacrylate,diglycol dimethacrylate,ethanediol dimethacrylate,ethylenedimethyacrylate,ethylene methacrylate,ethyldiol metacrylate,1,2-bis methacryloyloxy ethane,ethylene glycol bis methacrylate PubChem CID: 7355 ChEBI: CHEBI:53436 IUPAC Name: 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCCOC(=O)C(C)=C

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Specifications

PubChem CID	7355
CAS	97-90-5
Molecular Weight (g/mol)	198.22
ChEBI	CHEBI:53436
MDL Number	MFCD00008590
SMILES	CC(=C)C(=O)OCCOC(=O)C(C)=C
Synonym	ethylene glycol dimethacrylate,ethylene dimethacrylate,glycol dimethacrylate,diglycol dimethacrylate,ethanediol dimethacrylate,ethylenedimethyacrylate,ethylene methacrylate,ethyldiol metacrylate,1,2-bis methacryloyloxy ethane,ethylene glycol bis methacrylate
IUPAC Name	2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
InChI Key	STVZJERGLQHEKB-UHFFFAOYSA-N
Molecular Formula	C10H14O4

L-Ascorbic acid sodium salt, 99%

CAS: 134-03-2 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 MDL Number: MFCD00082340 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N Synonym: sodium ascorbate,l-ascorbic acid sodium salt,sodium l-ascorbate,vitamin c sodium,ascorbicin,sodascorbate,cebitate,aminofenitrooxon,natrii ascorbas,monosodium l-ascorbate PubChem CID: 131674100 IUPAC Name: sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O

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Specifications

PubChem CID	131674100
CAS	134-03-2
Molecular Weight (g/mol)	198.11
MDL Number	MFCD00082340
SMILES	[Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
Synonym	sodium ascorbate,l-ascorbic acid sodium salt,sodium l-ascorbate,vitamin c sodium,ascorbicin,sodascorbate,cebitate,aminofenitrooxon,natrii ascorbas,monosodium l-ascorbate
IUPAC Name	sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide
InChI Key	IFVCRSPJFHGFCG-HXPAKLQESA-N
Molecular Formula	C6H7NaO6

Methyl acetate, 99%

CAS: 79-20-9 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.079 MDL Number: MFCD00008711 InChI Key: KXKVLQRXCPHEJC-UHFFFAOYSA-N Synonym: tereton,devoton,acetic acid, methyl ester,methyl ethanoate,acetic acid methyl ester,methylacetat,acetate de methyle,methylacetaat,methyl acetic ester,octan metylu PubChem CID: 6584 ChEBI: CHEBI:77700 IUPAC Name: methyl acetate SMILES: CC(=O)OC

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Specifications

PubChem CID	6584
CAS	79-20-9
Molecular Weight (g/mol)	74.079
ChEBI	CHEBI:77700
MDL Number	MFCD00008711
SMILES	CC(=O)OC
Synonym	tereton,devoton,acetic acid, methyl ester,methyl ethanoate,acetic acid methyl ester,methylacetat,acetate de methyle,methylacetaat,methyl acetic ester,octan metylu
IUPAC Name	methyl acetate
InChI Key	KXKVLQRXCPHEJC-UHFFFAOYSA-N
Molecular Formula	C3H6O2

Methyl methacrylate, 99%, stab.

CAS: 80-62-6 Molecular Formula: C5H8O2 MDL Number: MFCD00008587 InChI Key: VVQNEPGJFQJSBK-UHFFFAOYSA-N Synonym: methyl methacrylate,methylmethacrylate,methacrylic acid methyl ester,methyl methylacrylate,methyl 2-methylpropenoate,pegalan,methyl-methacrylat,diakon,acryester m,methyl 2-methyl-2-propenoate PubChem CID: 6658 ChEBI: CHEBI:34840 IUPAC Name: methyl 2-methylprop-2-enoate

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Specifications

PubChem CID	6658
CAS	80-62-6
ChEBI	CHEBI:34840
MDL Number	MFCD00008587
Synonym	methyl methacrylate,methylmethacrylate,methacrylic acid methyl ester,methyl methylacrylate,methyl 2-methylpropenoate,pegalan,methyl-methacrylat,diakon,acryester m,methyl 2-methyl-2-propenoate
IUPAC Name	methyl 2-methylprop-2-enoate
InChI Key	VVQNEPGJFQJSBK-UHFFFAOYSA-N
Molecular Formula	C5H8O2

Methyl benzoate, 99%

CAS: 93-58-3 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00008421 InChI Key: QPJVMBTYPHYUOC-UHFFFAOYSA-N Synonym: methylbenzoate,benzoic acid, methyl ester,clorius,benzoic acid methyl ester,niobe oil,oil of niobe,methyl benzenecarboxylate,essence of niobe,oniobe oil,oxidate le PubChem CID: 7150 ChEBI: CHEBI:72775 IUPAC Name: methyl benzoate SMILES: COC(=O)C1=CC=CC=C1

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Specifications

PubChem CID	7150
CAS	93-58-3
Molecular Weight (g/mol)	136.15
ChEBI	CHEBI:72775
MDL Number	MFCD00008421
SMILES	COC(=O)C1=CC=CC=C1
Synonym	methylbenzoate,benzoic acid, methyl ester,clorius,benzoic acid methyl ester,niobe oil,oil of niobe,methyl benzenecarboxylate,essence of niobe,oniobe oil,oxidate le
IUPAC Name	methyl benzoate
InChI Key	QPJVMBTYPHYUOC-UHFFFAOYSA-N
Molecular Formula	C8H8O2

Methyl chloroacetate, 99+%

CAS: 96-34-4 Molecular Formula: C3H5ClO2 Molecular Weight (g/mol): 108.521 MDL Number: MFCD00000931 InChI Key: QABLOFMHHSOFRJ-UHFFFAOYSA-N Synonym: methyl chloroacetate,chloroacetic acid methyl ester,methyl monochloroacetate,methyl chloroethanoate,acetic acid, chloro-, methyl ester,methyl monochloracetate,methyl alpha-chloroacetate,methylchloroacetate,unii-450vsb182i,ccris 7749 PubChem CID: 7295 IUPAC Name: methyl 2-chloroacetate SMILES: COC(=O)CCl

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Specifications

PubChem CID	7295
CAS	96-34-4
Molecular Weight (g/mol)	108.521
MDL Number	MFCD00000931
SMILES	COC(=O)CCl
Synonym	methyl chloroacetate,chloroacetic acid methyl ester,methyl monochloroacetate,methyl chloroethanoate,acetic acid, chloro-, methyl ester,methyl monochloracetate,methyl alpha-chloroacetate,methylchloroacetate,unii-450vsb182i,ccris 7749
IUPAC Name	methyl 2-chloroacetate
InChI Key	QABLOFMHHSOFRJ-UHFFFAOYSA-N
Molecular Formula	C3H5ClO2

Methyl 3-(4-hydroxyphenyl)propionate, 98%

CAS: 5597-50-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00071577 InChI Key: XRAMJHXWXCMGJM-UHFFFAOYSA-N PubChem CID: 79706 IUPAC Name: methyl 3-(4-hydroxyphenyl)propanoate SMILES: COC(=O)CCC1=CC=C(C=C1)O

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Specifications

PubChem CID	79706
CAS	5597-50-2
Molecular Weight (g/mol)	180.203
MDL Number	MFCD00071577
SMILES	COC(=O)CCC1=CC=C(C=C1)O
IUPAC Name	methyl 3-(4-hydroxyphenyl)propanoate
InChI Key	XRAMJHXWXCMGJM-UHFFFAOYSA-N
Molecular Formula	C10H12O3

Glycidyl methacrylate, 97%, stab. with 100ppm 4-methoxyphenol

CAS: 106-91-2 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00005137 InChI Key: VOZRXNHHFUQHIL-UHFFFAOYSA-N Synonym: glycidyl methacrylate,2,3-epoxypropyl methacrylate,sy-monomer g,glycidol methacrylate,acriester g,blemmer g,blemmer gma,light ester g,glycidylmethacrylate,2-methacryloxy methyl oxirane PubChem CID: 7837 IUPAC Name: oxiran-2-ylmethyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCC1CO1

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Specifications

PubChem CID	7837
CAS	106-91-2
Molecular Weight (g/mol)	142.154
MDL Number	MFCD00005137
SMILES	CC(=C)C(=O)OCC1CO1
Synonym	glycidyl methacrylate,2,3-epoxypropyl methacrylate,sy-monomer g,glycidol methacrylate,acriester g,blemmer g,blemmer gma,light ester g,glycidylmethacrylate,2-methacryloxy methyl oxirane
IUPAC Name	oxiran-2-ylmethyl 2-methylprop-2-enoate
InChI Key	VOZRXNHHFUQHIL-UHFFFAOYSA-N
Molecular Formula	C7H10O3

Dimethyl phthalate, 99%

CAS: 131-11-3 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008425 InChI Key: NIQCNGHVCWTJSM-UHFFFAOYSA-N Synonym: dimethyl phthalate,dimethylphthalate,solvanom,solvarone,avolin,fermine,phthalic acid dimethyl ester,mipax,palatinol m,unimoll dm PubChem CID: 8554 ChEBI: CHEBI:4609 SMILES: COC(=O)C1=CC=CC=C1C(=O)OC

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Specifications

PubChem CID	8554
CAS	131-11-3
Molecular Weight (g/mol)	194.19
ChEBI	CHEBI:4609
MDL Number	MFCD00008425
SMILES	COC(=O)C1=CC=CC=C1C(=O)OC
Synonym	dimethyl phthalate,dimethylphthalate,solvanom,solvarone,avolin,fermine,phthalic acid dimethyl ester,mipax,palatinol m,unimoll dm
InChI Key	NIQCNGHVCWTJSM-UHFFFAOYSA-N
Molecular Formula	C10H10O4

2-Hydroxyethyl methacrylate, 97%, stab. with 4-methoxyphenol

CAS: 868-77-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00002863 InChI Key: WOBHKFSMXKNTIM-UHFFFAOYSA-N Synonym: 2-hydroxyethyl methacrylate,glycol methacrylate,hydroxyethyl methacrylate,glycol monomethacrylate,hema,ethylene glycol methacrylate,2-methacryloyloxy ethanol,2-hydroxyethylmethacrylate,mhoromer,monomer mg-1 PubChem CID: 13360 ChEBI: CHEBI:34288 IUPAC Name: 2-hydroxyethyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCCO

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Specifications

PubChem CID	13360
CAS	868-77-9
Molecular Weight (g/mol)	130.143
ChEBI	CHEBI:34288
MDL Number	MFCD00002863
SMILES	CC(=C)C(=O)OCCO
Synonym	2-hydroxyethyl methacrylate,glycol methacrylate,hydroxyethyl methacrylate,glycol monomethacrylate,hema,ethylene glycol methacrylate,2-methacryloyloxy ethanol,2-hydroxyethylmethacrylate,mhoromer,monomer mg-1
IUPAC Name	2-hydroxyethyl 2-methylprop-2-enoate
InChI Key	WOBHKFSMXKNTIM-UHFFFAOYSA-N
Molecular Formula	C6H10O3

Methyl 4-chlorocinnamate, 99%

CAS: 7560-44-3 Molecular Formula: C10H9ClO2 Molecular Weight (g/mol): 196.63 MDL Number: MFCD00075790 InChI Key: IIBXQGYKZKOORG-QPJJXVBHSA-N Synonym: methyl 4-chlorocinnamate,methyl p-chlorocinnamate,methyl 3-4-chlorophenyl acrylate,4-chlorocinnamic acid methyl ester,cinnamic acid, p-chloro-, methyl ester,2-propenoic acid, 3-4-chlorophenyl-, methyl ester,methyl e-3-4-chlorophenyl prop-2-enoate,e-methyl 3-4-chlorophenyl acrylate,methyl 2e-3-4-chlorophenyl prop-2-enoate,methyl 3-4-chlorophenyl prop-2-enoate PubChem CID: 5314314 IUPAC Name: methyl (E)-3-(4-chlorophenyl)prop-2-enoate SMILES: COC(=O)C=CC1=CC=C(C=C1)Cl

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Specifications

PubChem CID	5314314
CAS	7560-44-3
Molecular Weight (g/mol)	196.63
MDL Number	MFCD00075790
SMILES	COC(=O)C=CC1=CC=C(C=C1)Cl
Synonym	methyl 4-chlorocinnamate,methyl p-chlorocinnamate,methyl 3-4-chlorophenyl acrylate,4-chlorocinnamic acid methyl ester,cinnamic acid, p-chloro-, methyl ester,2-propenoic acid, 3-4-chlorophenyl-, methyl ester,methyl e-3-4-chlorophenyl prop-2-enoate,e-methyl 3-4-chlorophenyl acrylate,methyl 2e-3-4-chlorophenyl prop-2-enoate,methyl 3-4-chlorophenyl prop-2-enoate
IUPAC Name	methyl (E)-3-(4-chlorophenyl)prop-2-enoate
InChI Key	IIBXQGYKZKOORG-QPJJXVBHSA-N
Molecular Formula	C10H9ClO2

Vinyl acetate, 99%, stab. with 8-12ppm hydroquinone

CAS: 108-05-4 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00008713 InChI Key: XTXRWKRVRITETP-UHFFFAOYSA-N Synonym: vinyl acetate,acetic acid ethenyl ester,acetic acid vinyl ester,ethenyl ethanoate,1-acetoxyethylene,vinyl ethanoate,acetoxyethene,vinylacetat,vinyl acetate monomer,vinyl a monomer PubChem CID: 7904 ChEBI: CHEBI:46916 IUPAC Name: ethenyl acetate SMILES: CC(=O)OC=C

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Specifications

PubChem CID	7904
CAS	108-05-4
Molecular Weight (g/mol)	86.09
ChEBI	CHEBI:46916
MDL Number	MFCD00008713
SMILES	CC(=O)OC=C
Synonym	vinyl acetate,acetic acid ethenyl ester,acetic acid vinyl ester,ethenyl ethanoate,1-acetoxyethylene,vinyl ethanoate,acetoxyethene,vinylacetat,vinyl acetate monomer,vinyl a monomer
IUPAC Name	ethenyl acetate
InChI Key	XTXRWKRVRITETP-UHFFFAOYSA-N
Molecular Formula	C4H6O2

Carboxylic acid esters

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