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Sesquiterpenoids

A diverse, modified class of terpenoids comprising three isoprene units; exist in a variety of forms including linear, monocyclic, bicyclic, and tricyclic frameworks.
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1

(+)-Nootkatone, crystalline, 98+%

CAS: 4674-50-4 Molecular Formula: C15H22O Molecular Weight (g/mol): 218.34 MDL Number: MFCD00036591 InChI Key: WTOYNNBCKUYIKC-SLEUVZQESA-N Synonym: unii-zms1vjk5hy,zms1vjk5hy,nootkatone,-,+-nootkatone, crystalline,2 3h-naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-1-methylethenyl-, 4s,4ar,6s,unii-3k3okv2a5a component,4s,6s,4ar-4,4a-dimethyl-6-1-methylvinyl-3,4,5,6,7,8,4a-heptahydronaphthale n-2-one PubChem CID: 7567181 IUPAC Name: (4S,4aR,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one SMILES: CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C

PubChem CID 7567181
CAS 4674-50-4
Molecular Weight (g/mol) 218.34
MDL Number MFCD00036591
SMILES CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C
Synonym unii-zms1vjk5hy,zms1vjk5hy,nootkatone,-,+-nootkatone, crystalline,2 3h-naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-1-methylethenyl-, 4s,4ar,6s,unii-3k3okv2a5a component,4s,6s,4ar-4,4a-dimethyl-6-1-methylvinyl-3,4,5,6,7,8,4a-heptahydronaphthale n-2-one
IUPAC Name (4S,4aR,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
InChI Key WTOYNNBCKUYIKC-SLEUVZQESA-N
Molecular Formula C15H22O
2

(S)-(+)-Abscisic Acid 98.0+%, TCI America™

CAS: 21293-29-8 Molecular Formula: C15H20O4 Molecular Weight (g/mol): 264.32 MDL Number: MFCD00066545,MFCD00066545,MFCD00075619 InChI Key: JLIDBLDQVAYHNE-YKALOCIXSA-N PubChem CID: 5280896 ChEBI: CHEBI:2365 IUPAC Name: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid SMILES: C\C(\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C)=C\C(O)=O

PubChem CID 5280896
CAS 21293-29-8
Molecular Weight (g/mol) 264.32
ChEBI CHEBI:2365
MDL Number MFCD00066545,MFCD00066545,MFCD00075619
SMILES C\C(\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C)=C\C(O)=O
IUPAC Name (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
InChI Key JLIDBLDQVAYHNE-YKALOCIXSA-N
Molecular Formula C15H20O4
3

Guaiazulene, 98+%

CAS: 489-84-9 Molecular Formula: C15H18 Molecular Weight (g/mol): 198.309 MDL Number: MFCD00003811 InChI Key: FWKQNCXZGNBPFD-UHFFFAOYSA-N Synonym: guaiazulene,1,4-dimethyl-7-isopropylazulene,azulon,vetivazulen,azunol,7-isopropyl-1,4-dimethylazulene,eucazulen,guajazulene,kessazulen,purazulen PubChem CID: 3515 ChEBI: CHEBI:5550 IUPAC Name: 1,4-dimethyl-7-propan-2-ylazulene SMILES: CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C

PubChem CID 3515
CAS 489-84-9
Molecular Weight (g/mol) 198.309
ChEBI CHEBI:5550
MDL Number MFCD00003811
SMILES CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C
Synonym guaiazulene,1,4-dimethyl-7-isopropylazulene,azulon,vetivazulen,azunol,7-isopropyl-1,4-dimethylazulene,eucazulen,guajazulene,kessazulen,purazulen
IUPAC Name 1,4-dimethyl-7-propan-2-ylazulene
InChI Key FWKQNCXZGNBPFD-UHFFFAOYSA-N
Molecular Formula C15H18
4

Guaiazulene, 99%

CAS: 489-84-9 Molecular Formula: C15H18 Molecular Weight (g/mol): 198.31 InChI Key: FWKQNCXZGNBPFD-UHFFFAOYSA-N Synonym: guaiazulene,1,4-dimethyl-7-isopropylazulene,azulon,vetivazulen,azunol,7-isopropyl-1,4-dimethylazulene,eucazulen,guajazulene,kessazulen,purazulen PubChem CID: 3515 ChEBI: CHEBI:5550 IUPAC Name: 1,4-dimethyl-7-propan-2-ylazulene SMILES: CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C

PubChem CID 3515
CAS 489-84-9
Molecular Weight (g/mol) 198.31
ChEBI CHEBI:5550
SMILES CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C
Synonym guaiazulene,1,4-dimethyl-7-isopropylazulene,azulon,vetivazulen,azunol,7-isopropyl-1,4-dimethylazulene,eucazulen,guajazulene,kessazulen,purazulen
IUPAC Name 1,4-dimethyl-7-propan-2-ylazulene
InChI Key FWKQNCXZGNBPFD-UHFFFAOYSA-N
Molecular Formula C15H18
5

DL-6-Methyl-5-hepten-2-ol, 99%

CAS: 6-2-4630 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.21 MDL Number: MFCD00004561 InChI Key: OHEFFKYYKJVVOX-UHFFFAOYNA-N SMILES: CC(O)CCC=C(C)C

CAS 6-2-4630
Molecular Weight (g/mol) 128.21
MDL Number MFCD00004561
SMILES CC(O)CCC=C(C)C
InChI Key OHEFFKYYKJVVOX-UHFFFAOYNA-N
Molecular Formula C8H16O
6

7-Isopropyl-1,4-dimethylazulene-3-carboxaldehyde 97.0+%, TCI America™

CAS: 3331-47-3 Molecular Formula: C16H18O Molecular Weight (g/mol): 226.32 MDL Number: MFCD00275723 InChI Key: CDVRGGMPPUFSFH-UHFFFAOYSA-N Synonym: 5-Isopropyl-3,8-dimethylazulene-1-carboxaldehyde PubChem CID: 639851 IUPAC Name: 3,8-dimethyl-5-(propan-2-yl)azulene-1-carbaldehyde SMILES: CC(C)C1=CC=C(C)C2=C(C=O)C=C(C)C2=C1

PubChem CID 639851
CAS 3331-47-3
Molecular Weight (g/mol) 226.32
MDL Number MFCD00275723
SMILES CC(C)C1=CC=C(C)C2=C(C=O)C=C(C)C2=C1
Synonym 5-Isopropyl-3,8-dimethylazulene-1-carboxaldehyde
IUPAC Name 3,8-dimethyl-5-(propan-2-yl)azulene-1-carbaldehyde
InChI Key CDVRGGMPPUFSFH-UHFFFAOYSA-N
Molecular Formula C16H18O
7

Sodium 7-Isopropyl-1,4-dimethylazulene-3-sulfonate 98.0+%, TCI America™

CAS: 6223-35-4 Molecular Formula: C15H17NaO3S Molecular Weight (g/mol): 300.348 MDL Number: MFCD00866167 InChI Key: GEYJUFBPCGDENK-UHFFFAOYSA-M Synonym: 7-Isopropyl-1,4-dimethyl-azulene-3-sulfonic Acid Sodium Salt, Sodium Gualenate, Sodium 5-Isopropyl-3,8-dimethylazulene-1-sulfonate, 5-Isopropyl-3,8-dimethylazulene-1-sulfonic Acid Sodium Salt, Sodium Guaiazulenesulfonate, Guaiazulenesulfonic Acid Sodium S PubChem CID: 23669592 IUPAC Name: sodium;3,8-dimethyl-5-propan-2-ylazulene-1-sulfonate SMILES: CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)[O-].[Na+]

PubChem CID 23669592
CAS 6223-35-4
Molecular Weight (g/mol) 300.348
MDL Number MFCD00866167
SMILES CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)[O-].[Na+]
Synonym 7-Isopropyl-1,4-dimethyl-azulene-3-sulfonic Acid Sodium Salt, Sodium Gualenate, Sodium 5-Isopropyl-3,8-dimethylazulene-1-sulfonate, 5-Isopropyl-3,8-dimethylazulene-1-sulfonic Acid Sodium Salt, Sodium Guaiazulenesulfonate, Guaiazulenesulfonic Acid Sodium S
IUPAC Name sodium;3,8-dimethyl-5-propan-2-ylazulene-1-sulfonate
InChI Key GEYJUFBPCGDENK-UHFFFAOYSA-M
Molecular Formula C15H17NaO3S
8

Guaiazulene 99.0+%, TCI America™

CAS: 489-84-9 Molecular Formula: C15H18 Molecular Weight (g/mol): 198.309 MDL Number: MFCD00003811 InChI Key: FWKQNCXZGNBPFD-UHFFFAOYSA-N Synonym: guaiazulene,1,4-dimethyl-7-isopropylazulene,azulon,vetivazulen,azunol,7-isopropyl-1,4-dimethylazulene,eucazulen,guajazulene,kessazulen,purazulen PubChem CID: 3515 ChEBI: CHEBI:5550 IUPAC Name: 1,4-dimethyl-7-propan-2-ylazulene SMILES: CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C

PubChem CID 3515
CAS 489-84-9
Molecular Weight (g/mol) 198.309
ChEBI CHEBI:5550
MDL Number MFCD00003811
SMILES CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C
Synonym guaiazulene,1,4-dimethyl-7-isopropylazulene,azulon,vetivazulen,azunol,7-isopropyl-1,4-dimethylazulene,eucazulen,guajazulene,kessazulen,purazulen
IUPAC Name 1,4-dimethyl-7-propan-2-ylazulene
InChI Key FWKQNCXZGNBPFD-UHFFFAOYSA-N
Molecular Formula C15H18
9

(+)-Nootkatone 97.0+%, TCI America™

CAS: 4674-50-4 Molecular Formula: C15H22O Molecular Weight (g/mol): 218.34 MDL Number: MFCD04974578 InChI Key: WTOYNNBCKUYIKC-SLEUVZQESA-N Synonym: unii-zms1vjk5hy,zms1vjk5hy,nootkatone,-,+-nootkatone, crystalline,2 3h-naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-1-methylethenyl-, 4s,4ar,6s,unii-3k3okv2a5a component,4s,6s,4ar-4,4a-dimethyl-6-1-methylvinyl-3,4,5,6,7,8,4a-heptahydronaphthale n-2-one PubChem CID: 7567181 IUPAC Name: (4S,4aR,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one SMILES: CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C

PubChem CID 7567181
CAS 4674-50-4
Molecular Weight (g/mol) 218.34
MDL Number MFCD04974578
SMILES CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C
Synonym unii-zms1vjk5hy,zms1vjk5hy,nootkatone,-,+-nootkatone, crystalline,2 3h-naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-1-methylethenyl-, 4s,4ar,6s,unii-3k3okv2a5a component,4s,6s,4ar-4,4a-dimethyl-6-1-methylvinyl-3,4,5,6,7,8,4a-heptahydronaphthale n-2-one
IUPAC Name (4S,4aR,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
InChI Key WTOYNNBCKUYIKC-SLEUVZQESA-N
Molecular Formula C15H22O
10

Sigma Aldrich 2-cis,4-trans-Abscisic acid

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
Percent Purity 98%
Linear Formula C15H20O4
CAS 14375-45-2
Molecular Weight (g/mol) 264.32
MDL Number MFCD00075619
Synonym (+/-)-Abscisic acid; (2 Z,4 E)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoic acid; ABA; Dormin
Recommended Storage 2°C to 8°C
Molecular Formula C15H20O4
Melting Point 186°C to 188°C (lit.)
11

Sigma Aldrich 2-Methyl-2-nitrosopropane dimer

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
Linear Formula [(CH3)3 CNO]2
CAS 31107-20-7
Molecular Weight (g/mol) 174.24
MDL Number MFCD00002065
Synonym 1,1,1 ,1 -Tetramethylazoethane dioxide; NSC 677505; Nitroso-t-butane; Nitroso-tert-butane
Recommended Storage -20°C
Molecular Formula C8H18N2O2
Melting Point 81°C to 83°C (lit.)
12

Sigma Aldrich Guaiazulene

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
Boiling Point 153°C (7 mmHg)
Percent Purity 99%
Linear Formula C15H18
CAS 489-84-9
Molecular Weight (g/mol) 198.3
MDL Number MFCD00003811
Synonym 1,4-Dimethyl-7-isopropylazulene
RTECS Number CO4790000
Recommended Storage Room Temperature
Molecular Formula C15H18
EINECS Number 207-701-2
Density 0.976 g/mL (at 25°C (literature))
Melting Point 27°C to 29°C (lit.)
13

Medchemexpress LLC (±)-Abscisic acid | 14375-45-2 | 5 MG
SDP

(±)-Abscisic acid is an orally active plant hormone that is also present in animals. It contributes to the regulation of glycemia in mammals. For research use only, not for sale to patients.

ENCOMPASS_PREFERRED
14

Medchemexpress LLC MEDCHEMEXPRESS LLC
SDP

5000586109 ABSCISIC ACID STAND 10MG

ENCOMPASS_PREFERRED
15

Cayman Chemical Abscisic Acid Fatty Acids and
SDP

A plant hormone with diverse roles in disease resistance, plant development, and response to stresses; regulates gene expression and may contribute to epigenetic changes at the chromatin level

ENCOMPASS_PREFERRED