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Organooxygen compounds

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1

Thermo Scientific Chemicals Glyoxal, pure, 40 wt.% solution in water

CAS: 107-22-2 | C2H2O2 | 58.04 g/mol

Viscosity 8 mPa.s (20°C)
Linear Formula HCOCHO
Molecular Weight (g/mol) 58.04
ChEBI CHEBI:34779
InChI Key LEQAOMBKQFMDFZ-UHFFFAOYSA-N
Density 1.2650g/mL
PubChem CID 7860
Name Note 40 wt.% Solution in Water
Percent Purity 39 to 41% (Titrimetry other)
Fieser 01,413
Formula Weight 58.04
Melting Point -14.0°C
Boiling Point 104.0°C
Color Colorless to Yellow
Physical Form Liquid
Chemical Name or Material Glyoxal
Grade Pure
SMILES C(=O)C=O
Merck Index 15, 4544
CAS 7732-18-5
Health Hazard 3 GHS P Statement
IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
IF ON SKIN: Wash with plenty of soap and water.
If skin irritatio
MDL Number MFCD00006957
Health Hazard 2 GHS H Statement
Suspected of causing genetic defects if inhaled.
Harmful if inhaled.
Causes serious eye irritation.
Causes skin irritation.
May cause an allergic skin reaction.
May cause respiratory irritation.
Solubility Information Solubility in water: miscible.
Flash Point >104°C
Health Hazard 1 GHS Signal Word: Warning
Synonym glyoxal,ethanedial,oxalaldehyde,1,2-ethanedione,glyoxylaldehyde,biformal,biformyl,diformal,diformyl,aerotex glyoxal 40
Recommended Storage May darken during storage
IUPAC Name oxaldehyde
Beilstein 01, 759
Molecular Formula C2H2O2
EINECS Number 203-474-9
Specific Gravity 1.265
2

Glutaric dialdehyde, 50 wt.% solution in water

CAS: 111-30-8 | C5H8O2 | 100.12 g/mol

Viscosity 20 mPa.s (50°C)
Linear Formula OHC(CH2)3CHO
Molecular Weight (g/mol) 100.12
ChEBI CHEBI:64276
InChI Key SXRSQZLOMIGNAQ-UHFFFAOYSA-N
Density 1.1300g/mL
PubChem CID 3485
Name Note 50 wt% Solution in Water
Fieser 01,411
pH 3.2 to 4.2
Formula Weight 100.12
Melting Point -33.0°C
Boiling Point 101.5°C (740.0 mmHg)
Physical Form Solution
Chemical Name or Material Glutaric dialdehyde
SMILES O=CCCCC=O
Merck Index 15, 4508
CAS 7732-18-5
Health Hazard 3 GHS P Statement
Wear protective gloves/protective clothing/eye protection/face protection.
IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing.
IF IN EYES: Rinse cautiously with water for several minu
MDL Number MFCD00007025
Health Hazard 2 GHS H Statement
Toxic if swallowed.
Fatal if inhaled.
Causes severe skin burns and eye damage.
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
May cause an allergic skin reaction.
Very toxic
Solubility Information Solubility in water: soluble
Health Hazard 1 GHS Signal Word: Danger
Synonym glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde
IUPAC Name pentanedial
Beilstein 01, 776
Molecular Formula C5H8O2
EINECS Number 203-856-5
Specific Gravity 1.13
3

Glutaric dialdehyde, 25% w/v solution in water

CAS: 111-30-8 | C5H8O2 | 100.12 g/mol

Linear Formula OHC(CH2)3CHO
Molecular Weight (g/mol) 100.12
ChEBI CHEBI:64276
Physical Form Solution
Chemical Name or Material Glutaric dialdehyde
SMILES O=CCCCC=O
Merck Index 15, 4508
InChI Key SXRSQZLOMIGNAQ-UHFFFAOYSA-N
Density 1.0600g/mL
Vapor Pressure 16.4mmHg at 20°C
PubChem CID 3485
Fieser 01,411
CAS 7732-18-5
MDL Number MFCD00007025
pH 3.2 to 4.2
Synonym glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde
IUPAC Name pentanedial
Beilstein 01, 776
Molecular Formula C5H8O2
Formula Weight 100.12
4

Glutaric Dialdehyde, 50% in Water, Spectrum™ Chemical
SDP

CAS: 111-30-8

CAS 111-30-8
5

Pyruvic aldehyde, 30-45 wt% solution in water

CAS: 78-98-8 Molecular Formula: C3H4O2 Molecular Weight (g/mol): 72.06 MDL Number: MFCD00006960 InChI Key: AIJULSRZWUXGPQ-UHFFFAOYSA-N Synonym: methylglyoxal,pyruvaldehyde,pyruvic aldehyde,acetylformaldehyde,acetylformyl,propanal, 2-oxo,2-ketopropionaldehyde,propanedione,propanolone,methyl glyoxal PubChem CID: 880 ChEBI: CHEBI:17158 IUPAC Name: 2-oxopropanal SMILES: CC(=O)C=O

PubChem CID 880
CAS 78-98-8
Molecular Weight (g/mol) 72.06
ChEBI CHEBI:17158
MDL Number MFCD00006960
SMILES CC(=O)C=O
Synonym methylglyoxal,pyruvaldehyde,pyruvic aldehyde,acetylformaldehyde,acetylformyl,propanal, 2-oxo,2-ketopropionaldehyde,propanedione,propanolone,methyl glyoxal
IUPAC Name 2-oxopropanal
InChI Key AIJULSRZWUXGPQ-UHFFFAOYSA-N
Molecular Formula C3H4O2
6

4-Methylmorpholine N-oxide, 50 wt.% solution in water

CAS: 7529-22-8 | C5H11NO2 | 117.15 g/mol

Molecular Weight (g/mol) 117.15
ChEBI CHEBI:52093
CAS Min % 48.0
InChI Key LFTLOKWAGJYHHR-UHFFFAOYSA-N
Density 1.1300g/mL
PubChem CID 82029
Name Note 50 wt.% solution in water
Fieser 07,244
Formula Weight 117.15
Melting Point -20.0°C
CAS Max % 50.0
Boiling Point 118.0°C to 119.0°C
Color Colorless to Yellow
Physical Form Liquid
Chemical Name or Material 4-Methylmorpholine N-oxide
SMILES C[N+]1([O-])CCOCC1
Merck Index 15, 6171
CAS 7732-18-5
Health Hazard 3 GHS P Statement
IF ON SKIN: Wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
If eye irritation persists: Get medical advice/attention.
Wear protective gloves/protective clothing/eye protec
MDL Number MFCD00005947
Health Hazard 2 GHS H Statement
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.
Solubility Information Solubility in water: miscible
Packaging Glass bottle
Flash Point >100°C
Health Hazard 1 GHS Signal Word: Warning
Synonym 4-methylmorpholine n-oxide,4-methylmorpholine 4-oxide,n-methylmorpholine oxide,n-methylmorpholine n-oxide,morpholine, 4-methyl-, 4-oxide,4-methylmorpholine-4-oxide,methyl morpholine oxide,n-methylmorpholine-n-oxide,nmo,unii-arc64pkj0f
IUPAC Name 4-methyl-4-oxidomorpholin-4-ium
Molecular Formula C5H11NO2
EINECS Number 231-391-8
Specific Gravity 1.13
7

Ergosterol, 96%, may cont. up to ca 6% water

CAS: 57-87-4 Molecular Formula: C28H44O MDL Number: MFCD00003623 InChI Key: DNVPQKQSNYMLRS-APGDWVJJSA-N PubChem CID: 444679 ChEBI: CHEBI:16933

PubChem CID 444679
CAS 57-87-4
ChEBI CHEBI:16933
MDL Number MFCD00003623
InChI Key DNVPQKQSNYMLRS-APGDWVJJSA-N
Molecular Formula C28H44O
8

Glutaric dialdehyde, electron microscopy grade, 25% solution in water, purified

CAS: 111-30-8 | C5H8O2 | 100.12 g/mol

Linear Formula OHC(CH2)3CHO
Molecular Weight (g/mol) 100.12
ChEBI CHEBI:64276
InChI Key SXRSQZLOMIGNAQ-UHFFFAOYSA-N
Density 1.0600g/mL
PubChem CID 3485
Name Note Purified
Percent Purity 25 to 27 wt%
Fieser 01,411
pH 3.1 to 4.5 (25°C)
Formula Weight 100.12
Melting Point -5.0°C
Boiling Point 101°C
Physical Form Solution
Chemical Name or Material Glutaric dialdehyde, electron microscopy grade
Grade E.M.
SMILES O=CCCCC=O
Merck Index 15, 4508
CAS 7732-18-5
Health Hazard 3 GHS P Statement
IF SWALLOWED: rinse mouth.
Do NOT induce vomiting.
IF IN EYES: Rinse cautiously with water for several minutes.
Remove contact lenses,if present and easy to do.
Continue rinsing.
Immediately call a POISON CENTER
MDL Number MFCD00007025
Health Hazard 2 GHS H Statement
May cause an allergic skin reaction.
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Causes severe skin burns and eye damage.
Harmful if swallowed.
Harmful if inhaled.
Very t
Solubility Information Solubility in water: soluble
Packaging Glass bottle
Health Hazard 1 GHS Signal Word: Danger
Refractive Index 1.373
Synonym glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde
IUPAC Name pentanedial
Beilstein 01, 776
Molecular Formula C5H8O2
EINECS Number 203-856-5
Specific Gravity 1.06
9

2-Hydroxyisobutyric acid, 99% (dry wt.), water <2%

CAS: 594-61-6 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00004459 InChI Key: BWLBGMIXKSTLSX-UHFFFAOYSA-N Synonym: 2-hydroxyisobutyric acid,2-methyllactic acid,acetonic acid,2-hydroxy-2-methylpropionic acid,alpha-hydroxyisobutyric acid,hydroxydimethylacetic acid,acetonate,propanoic acid, 2-hydroxy-2-methyl,alpha-hydroxyisobutanoic acid,2-hydroxyisobutyricacid PubChem CID: 11671 ChEBI: CHEBI:50129 IUPAC Name: 2-hydroxy-2-methylpropanoic acid SMILES: CC(C)(O)C(O)=O

PubChem CID 11671
CAS 594-61-6
Molecular Weight (g/mol) 104.11
ChEBI CHEBI:50129
MDL Number MFCD00004459
SMILES CC(C)(O)C(O)=O
Synonym 2-hydroxyisobutyric acid,2-methyllactic acid,acetonic acid,2-hydroxy-2-methylpropionic acid,alpha-hydroxyisobutyric acid,hydroxydimethylacetic acid,acetonate,propanoic acid, 2-hydroxy-2-methyl,alpha-hydroxyisobutanoic acid,2-hydroxyisobutyricacid
IUPAC Name 2-hydroxy-2-methylpropanoic acid
InChI Key BWLBGMIXKSTLSX-UHFFFAOYSA-N
Molecular Formula C4H8O3
10

5-Hydroxymethyl-2-furaldehyde (stabilized with Water) 95.0+%, TCI America™

CAS: 67-47-0 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.111 MDL Number: MFCD00003234 InChI Key: NOEGNKMFWQHSLB-UHFFFAOYSA-N Synonym: 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole PubChem CID: 237332 ChEBI: CHEBI:412516 IUPAC Name: 5-(hydroxymethyl)furan-2-carbaldehyde SMILES: C1=C(OC(=C1)C=O)CO

PubChem CID 237332
CAS 67-47-0
Molecular Weight (g/mol) 126.111
ChEBI CHEBI:412516
MDL Number MFCD00003234
SMILES C1=C(OC(=C1)C=O)CO
Synonym 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole
IUPAC Name 5-(hydroxymethyl)furan-2-carbaldehyde
InChI Key NOEGNKMFWQHSLB-UHFFFAOYSA-N
Molecular Formula C6H6O3
11

Glutaraldehyde (24-26% in Water), TCI America™

CAS: 111-30-8 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00007025 InChI Key: SXRSQZLOMIGNAQ-UHFFFAOYSA-N Synonym: glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde PubChem CID: 3485 ChEBI: CHEBI:64276 IUPAC Name: pentanedial SMILES: O=CCCCC=O

PubChem CID 3485
CAS 111-30-8
Molecular Weight (g/mol) 100.12
ChEBI CHEBI:64276
MDL Number MFCD00007025
SMILES O=CCCCC=O
Synonym glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde
IUPAC Name pentanedial
InChI Key SXRSQZLOMIGNAQ-UHFFFAOYSA-N
Molecular Formula C5H8O2
12

Ether, Ultra Low Water, Contains No Preservative, BakerDRY™, J.T. Baker™

CAS: 60-29-7 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.12 MDL Number: MFCD00011646 InChI Key: RTZKZFJDLAIYFH-UHFFFAOYSA-N Synonym: diethyl ether,ether,ethyl ether,diethyl oxide,ethyl oxide,aether,pronarcol,anesthetic ether,3-oxapentane,anaesthetic ether PubChem CID: 3283 ChEBI: CHEBI:35702 IUPAC Name: ethoxyethane SMILES: CCOCC

PubChem CID 3283
CAS 60-29-7
Molecular Weight (g/mol) 74.12
ChEBI CHEBI:35702
MDL Number MFCD00011646
SMILES CCOCC
Synonym diethyl ether,ether,ethyl ether,diethyl oxide,ethyl oxide,aether,pronarcol,anesthetic ether,3-oxapentane,anaesthetic ether
IUPAC Name ethoxyethane
InChI Key RTZKZFJDLAIYFH-UHFFFAOYSA-N
Molecular Formula C4H10O
13

Ether, Preserved with 2% Alcohol, 0.5% max Water and 7ppm min BHT, U.S.P., J.T. Baker™

CAS: 60-29-7 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.12 MDL Number: MFCD00011646 InChI Key: RTZKZFJDLAIYFH-UHFFFAOYSA-N Synonym: diethyl ether,ether,ethyl ether,diethyl oxide,ethyl oxide,aether,pronarcol,anesthetic ether,3-oxapentane,anaesthetic ether PubChem CID: 3283 ChEBI: CHEBI:35702 IUPAC Name: ethoxyethane SMILES: CCOCC

PubChem CID 3283
CAS 60-29-7
Molecular Weight (g/mol) 74.12
ChEBI CHEBI:35702
MDL Number MFCD00011646
SMILES CCOCC
Synonym diethyl ether,ether,ethyl ether,diethyl oxide,ethyl oxide,aether,pronarcol,anesthetic ether,3-oxapentane,anaesthetic ether
IUPAC Name ethoxyethane
InChI Key RTZKZFJDLAIYFH-UHFFFAOYSA-N
Molecular Formula C4H10O
14

1-(2-Thenoyl)-3,3,3-trifluoroacetone, 99% (dry wt.) may cont. up to ca 2% water

CAS: 326-91-0 Molecular Formula: C8H5F3O2S Molecular Weight (g/mol): 222.18 MDL Number: MFCD00005445 InChI Key: TXBBUSUXYMIVOS-UHFFFAOYSA-N Synonym: 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone PubChem CID: 5601 IUPAC Name: 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione SMILES: FC(F)(F)C(=O)CC(=O)C1=CC=CS1

PubChem CID 5601
CAS 326-91-0
Molecular Weight (g/mol) 222.18
MDL Number MFCD00005445
SMILES FC(F)(F)C(=O)CC(=O)C1=CC=CS1
Synonym 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone
IUPAC Name 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
InChI Key TXBBUSUXYMIVOS-UHFFFAOYSA-N
Molecular Formula C8H5F3O2S
15

Ether, Contains Alcohol, Water, and BHT as Preservatives, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™

CAS: 60-29-7 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.12 MDL Number: MFCD00011646 InChI Key: RTZKZFJDLAIYFH-UHFFFAOYSA-N Synonym: diethyl ether,ether,ethyl ether,diethyl oxide,ethyl oxide,aether,pronarcol,anesthetic ether,3-oxapentane,anaesthetic ether PubChem CID: 3283 ChEBI: CHEBI:35702 IUPAC Name: ethoxyethane SMILES: CCOCC

PubChem CID 3283
CAS 60-29-7
Molecular Weight (g/mol) 74.12
ChEBI CHEBI:35702
MDL Number MFCD00011646
SMILES CCOCC
Synonym diethyl ether,ether,ethyl ether,diethyl oxide,ethyl oxide,aether,pronarcol,anesthetic ether,3-oxapentane,anaesthetic ether
IUPAC Name ethoxyethane
InChI Key RTZKZFJDLAIYFH-UHFFFAOYSA-N
Molecular Formula C4H10O