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Monoterpenoids

A diverse, modified class of terpenoids comprising two isoprene units and containing oxygen functionality or missing a methyl group; they have relevance to the pharmaceutical, cosmetic, agricultural, and food industries.
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Keyword Search:
1 – 15 of 291 results
1

(+)-3-Carene

CAS: 498-15-7 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00066417 InChI Key: BQOFWKZOCNGFEC-BDAKNGLRSA-N IUPAC Name: (1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene SMILES: CC1=CC[C@@H]2[C@H](C1)C2(C)C

CAS 498-15-7
Molecular Weight (g/mol) 136.24
MDL Number MFCD00066417
SMILES CC1=CC[C@@H]2[C@H](C1)C2(C)C
IUPAC Name (1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
InChI Key BQOFWKZOCNGFEC-BDAKNGLRSA-N
Molecular Formula C10H16
2

Carvacrol, Thermo Scientific Chemicals

CAS: 499-75-2 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00002236 InChI Key: RECUKUPTGUEGMW-UHFFFAOYSA-N IUPAC Name: 2-methyl-5-(propan-2-yl)phenol SMILES: CC(C)C1=CC=C(C)C(O)=C1

CAS 499-75-2
Molecular Weight (g/mol) 150.22
MDL Number MFCD00002236
SMILES CC(C)C1=CC=C(C)C(O)=C1
IUPAC Name 2-methyl-5-(propan-2-yl)phenol
InChI Key RECUKUPTGUEGMW-UHFFFAOYSA-N
Molecular Formula C10H14O
3

TraceCERT™ Verbenon, 2000 μg/mL, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

4

(-)-Menthone, Terpene Analytical Standard, MilliporeSigma™ Supelco™

Boiling Point 207°C to 210°C (literature)
Linear Formula C10H18O
Physical Form Neat
Grade Analytical Standard
Density 0.893 g/mL (at 20°C (literature))
Vapor Pressure 0.5 mmHg (20°C)
Optical Rotation [α]20/D -28 ±2°, Neat
Percent Purity ≥99% (Sum of Enantiomers, GC)
CAS 14073-97-3
MDL Number MFCD00001634
Flash Point 74°C
Health Hazard 1 H315 - H317
Refractive Index n20/D 1.45 (literature); n20/D 1.451
Synonym (1 R,4 S)-p-Menthan-3-one; (2 S,5 R)-2-Isopropyl-5-methylcyclohexanone
Recommended Storage 2°C to 8°C
Shelf Life Limited shelf life, expiry date on the label
Molecular Formula C10H18O
Formula Weight 154.25
5

alpha-Terpineol, 96%

CAS: 98-55-5 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00001557 InChI Key: WUOACPNHFRMFPN-UHFFFAOYSA-N Synonym: alpha-terpineol,terpineol,p-menth-1-en-8-ol,2-4-methylcyclohex-3-en-1-yl propan-2-ol,dl-alpha-terpineol,1-p-menthen-8-ol,1-menthene-8-ol,terpineol schlechthin,carvomenthenol,terpenol PubChem CID: 17100 ChEBI: CHEBI:22469 IUPAC Name: 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol SMILES: CC1=CCC(CC1)C(C)(C)O

PubChem CID 17100
CAS 98-55-5
Molecular Weight (g/mol) 154.253
ChEBI CHEBI:22469
MDL Number MFCD00001557
SMILES CC1=CCC(CC1)C(C)(C)O
Synonym alpha-terpineol,terpineol,p-menth-1-en-8-ol,2-4-methylcyclohex-3-en-1-yl propan-2-ol,dl-alpha-terpineol,1-p-menthen-8-ol,1-menthene-8-ol,terpineol schlechthin,carvomenthenol,terpenol
IUPAC Name 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
InChI Key WUOACPNHFRMFPN-UHFFFAOYSA-N
Molecular Formula C10H18O
6

(+/-)-Citronellal, 96%

CAS: 106-23-0 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00038090 InChI Key: NEHNMFOYXAPHSD-SNVBAGLBSA-N Synonym: citronellal,rhodinal,3,7-dimethyl-6-octenal,2,3-dihydrocitral,6-octenal, 3,7-dimethyl,citronellel,citronella,3,7-dimethyl-6-octen-1-al,beta-citronellal,d-rhodinal PubChem CID: 7794 ChEBI: CHEBI:47856 SMILES: C[C@H](CCC=C(C)C)CC=O

PubChem CID 7794
CAS 106-23-0
Molecular Weight (g/mol) 154.25
ChEBI CHEBI:47856
MDL Number MFCD00038090
SMILES C[C@H](CCC=C(C)C)CC=O
Synonym citronellal,rhodinal,3,7-dimethyl-6-octenal,2,3-dihydrocitral,6-octenal, 3,7-dimethyl,citronellel,citronella,3,7-dimethyl-6-octen-1-al,beta-citronellal,d-rhodinal
InChI Key NEHNMFOYXAPHSD-SNVBAGLBSA-N
Molecular Formula C10H18O
7

Citronellal, 95+%

CAS: 106-23-0 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00038090 InChI Key: NEHNMFOYXAPHSD-SNVBAGLBSA-N Synonym: citronellal,rhodinal,3,7-dimethyl-6-octenal,2,3-dihydrocitral,6-octenal, 3,7-dimethyl,citronellel,citronella,3,7-dimethyl-6-octen-1-al,beta-citronellal,d-rhodinal PubChem CID: 7794 ChEBI: CHEBI:47856 IUPAC Name: 3,7-dimethyloct-6-enal SMILES: C[C@H](CCC=C(C)C)CC=O

PubChem CID 7794
CAS 106-23-0
Molecular Weight (g/mol) 154.25
ChEBI CHEBI:47856
MDL Number MFCD00038090
SMILES C[C@H](CCC=C(C)C)CC=O
Synonym citronellal,rhodinal,3,7-dimethyl-6-octenal,2,3-dihydrocitral,6-octenal, 3,7-dimethyl,citronellel,citronella,3,7-dimethyl-6-octen-1-al,beta-citronellal,d-rhodinal
IUPAC Name 3,7-dimethyloct-6-enal
InChI Key NEHNMFOYXAPHSD-SNVBAGLBSA-N
Molecular Formula C10H18O
8

Dicyclopentanylmethyl acrylate

CAS: 93962-84-6 Molecular Formula: C14H20O2 Molecular Weight (g/mol): 220.312 MDL Number: MFCD22380704 InChI Key: PMPNHSZLJPXGCD-UHFFFAOYSA-N Synonym: octahydro-4,7-methano-1h-indenyl methyl acrylate,acmc-20mslm,tricyclo 5.2.1.0 2 ,? decan-3-ylmethyl prop-2-enoate PubChem CID: 22051805 SMILES: C=CC(=O)OCC1CCC2C1C3CCC2C3

PubChem CID 22051805
CAS 93962-84-6
Molecular Weight (g/mol) 220.312
MDL Number MFCD22380704
SMILES C=CC(=O)OCC1CCC2C1C3CCC2C3
Synonym octahydro-4,7-methano-1h-indenyl methyl acrylate,acmc-20mslm,tricyclo 5.2.1.0 2 ,? decan-3-ylmethyl prop-2-enoate
InChI Key PMPNHSZLJPXGCD-UHFFFAOYSA-N
Molecular Formula C14H20O2
9

3-(2,2,3-Trimethylnorborn-5-yl)cyclohexyl acrylate

CAS: 903876-45-9 Molecular Formula: C19H30O2 Molecular Weight (g/mol): 290.45 MDL Number: MFCD22380703 InChI Key: CDBRNGRSVNBVLJ-UHFFFAOYNA-N Synonym: 3-5,5,6-trimethylbicyclo 2.2.1 heptan-2-yl cyclohexyl prop-2-enoate

CAS 903876-45-9
Molecular Weight (g/mol) 290.45
MDL Number MFCD22380703
Synonym 3-5,5,6-trimethylbicyclo 2.2.1 heptan-2-yl cyclohexyl prop-2-enoate
InChI Key CDBRNGRSVNBVLJ-UHFFFAOYNA-N
Molecular Formula C19H30O2
10

Thermo Scientific Chemicals Thymolphthalein

CAS: 125-20-2 Molecular Formula: C28H30O4 Molecular Weight (g/mol): 430.544 MDL Number: MFCD00005909 InChI Key: LDKDGDIWEUUXSH-UHFFFAOYSA-N Synonym: thymolphthalein,thymophthalein,unii-yg5i28wsqp,yg5i28wsqp,phenolphthalein, 5',5-diisopropyl-2',2-dimethyl,3,3-bis 4-hydroxy-5-isopropyl-2-methylphenyl-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-2-methyl-5-1-methylethyl phenyl,5',5-diisopropyl-2',2-dimethylphenolphthalein,3,3-bis 4-hydroxy-2-methyl-5-propan-2-ylphenyl-2-benzofuran-1-one PubChem CID: 31316 IUPAC Name: 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one SMILES: CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O

PubChem CID 31316
CAS 125-20-2
Molecular Weight (g/mol) 430.544
MDL Number MFCD00005909
SMILES CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O
Synonym thymolphthalein,thymophthalein,unii-yg5i28wsqp,yg5i28wsqp,phenolphthalein, 5',5-diisopropyl-2',2-dimethyl,3,3-bis 4-hydroxy-5-isopropyl-2-methylphenyl-2-benzofuran-1 3h-one,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-2-methyl-5-1-methylethyl phenyl,5',5-diisopropyl-2',2-dimethylphenolphthalein,3,3-bis 4-hydroxy-2-methyl-5-propan-2-ylphenyl-2-benzofuran-1-one
IUPAC Name 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one
InChI Key LDKDGDIWEUUXSH-UHFFFAOYSA-N
Molecular Formula C28H30O4
11

Citronellol, 95%

CAS: 106-22-9 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.27 MDL Number: MFCD00002935 InChI Key: QMVPMAAFGQKVCJ-UHFFFAOYSA-N Synonym: citronellol,beta-citronellol,3,7-dimethyl-6-octen-1-ol,dl-citronellol,cephrol,elenol,6-octen-1-ol, 3,7-dimethyl,rodinol,2,3-dihydrogeraniol,2,6-dimethyl-2-octen-8-ol PubChem CID: 8842 ChEBI: CHEBI:50462 IUPAC Name: 3,7-dimethyloct-6-en-1-ol SMILES: CC(CCC=C(C)C)CCO

PubChem CID 8842
CAS 106-22-9
Molecular Weight (g/mol) 156.27
ChEBI CHEBI:50462
MDL Number MFCD00002935
SMILES CC(CCC=C(C)C)CCO
Synonym citronellol,beta-citronellol,3,7-dimethyl-6-octen-1-ol,dl-citronellol,cephrol,elenol,6-octen-1-ol, 3,7-dimethyl,rodinol,2,3-dihydrogeraniol,2,6-dimethyl-2-octen-8-ol
IUPAC Name 3,7-dimethyloct-6-en-1-ol
InChI Key QMVPMAAFGQKVCJ-UHFFFAOYSA-N
Molecular Formula C10H20O
12

(S)-(+)-Carvone, 96%

CAS: 2244-16-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00062997 InChI Key: ULDHMXUKGWMISQ-VIFPVBQESA-N Synonym: d-carvone,+-carvone,s-+-carvone,s-carvone,s-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,+-s-carvone,carvone, +,d +-carvone,carvol,s-+-p-mentha-6,8-dien-2-one PubChem CID: 16724 ChEBI: CHEBI:15399 IUPAC Name: (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one SMILES: CC1=CCC(CC1=O)C(=C)C

PubChem CID 16724
CAS 2244-16-8
Molecular Weight (g/mol) 150.221
ChEBI CHEBI:15399
MDL Number MFCD00062997
SMILES CC1=CCC(CC1=O)C(=C)C
Synonym d-carvone,+-carvone,s-+-carvone,s-carvone,s-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,+-s-carvone,carvone, +,d +-carvone,carvol,s-+-p-mentha-6,8-dien-2-one
IUPAC Name (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
InChI Key ULDHMXUKGWMISQ-VIFPVBQESA-N
Molecular Formula C10H14O
13

Norcamphor, 98+%

CAS: 497-38-1 Molecular Formula: C7H10O Molecular Weight (g/mol): 110.156 MDL Number: MFCD00074823 InChI Key: KPMKEVXVVHNIEY-UHFFFAOYSA-N Synonym: norcamphor,2-norbornanone,bicyclo 2.2.1 heptan-2-one,norcampher,2-oxonorbornane,norbornan-2-one,2,5-methanocyclohexanone,8,9,10-trinorbornan-2-one,bicyclo 2.2.1 heptan-3-one PubChem CID: 10345 IUPAC Name: bicyclo[2.2.1]heptan-3-one SMILES: C1CC2CC1CC2=O

PubChem CID 10345
CAS 497-38-1
Molecular Weight (g/mol) 110.156
MDL Number MFCD00074823
SMILES C1CC2CC1CC2=O
Synonym norcamphor,2-norbornanone,bicyclo 2.2.1 heptan-2-one,norcampher,2-oxonorbornane,norbornan-2-one,2,5-methanocyclohexanone,8,9,10-trinorbornan-2-one,bicyclo 2.2.1 heptan-3-one
IUPAC Name bicyclo[2.2.1]heptan-3-one
InChI Key KPMKEVXVVHNIEY-UHFFFAOYSA-N
Molecular Formula C7H10O
14

(1R)-(-)-Menthyl glyoxylate monohydrate, 98%

CAS: 111969-64-3 Molecular Formula: C12H22O4 Molecular Weight (g/mol): 230.304 MDL Number: MFCD00792503 InChI Key: BWZMJRSMHQDFIT-KXUCPTDWSA-N Synonym: 1r,2s,5r-2-isopropyl-5-methylcyclohexyl 2,2-dihydroxyacetate,l-menthyl glyoxylate hydrate,1r,2s,5r-5-methyl-2-1-methylethyl cyclohexyl dihydroxy-acetate,l-menthyl glyoxylate,l-menthylglyoxylate hydrate,--menthyl 2,2-dihydroxyacetate,1r,2s,5r-5-methyl-2-1-methylethyl cyclohexyl di,2,2-dihydroxyacetic acid 1r,3r,4s-p-menth-3-yl ester,1r,2s,5r-5-methyl-2-propan-2-ylcyclohexyl 2,2-dihydroxyacetate,2,2-dihydroxyacetic acid 1r,2s,5r-2-isopropyl-5-methylcyclohexyl ester PubChem CID: 7373179 IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate SMILES: CC1CCC(C(C1)OC(=O)C(O)O)C(C)C

PubChem CID 7373179
CAS 111969-64-3
Molecular Weight (g/mol) 230.304
MDL Number MFCD00792503
SMILES CC1CCC(C(C1)OC(=O)C(O)O)C(C)C
Synonym 1r,2s,5r-2-isopropyl-5-methylcyclohexyl 2,2-dihydroxyacetate,l-menthyl glyoxylate hydrate,1r,2s,5r-5-methyl-2-1-methylethyl cyclohexyl dihydroxy-acetate,l-menthyl glyoxylate,l-menthylglyoxylate hydrate,--menthyl 2,2-dihydroxyacetate,1r,2s,5r-5-methyl-2-1-methylethyl cyclohexyl di,2,2-dihydroxyacetic acid 1r,3r,4s-p-menth-3-yl ester,1r,2s,5r-5-methyl-2-propan-2-ylcyclohexyl 2,2-dihydroxyacetate,2,2-dihydroxyacetic acid 1r,2s,5r-2-isopropyl-5-methylcyclohexyl ester
IUPAC Name [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate
InChI Key BWZMJRSMHQDFIT-KXUCPTDWSA-N
Molecular Formula C12H22O4
15

4-Isopropylphenylacetonitrile, 98+%

CAS: 4395-87-3 Molecular Formula: C11H13N Molecular Weight (g/mol): 159.23 MDL Number: MFCD00040892 InChI Key: RIPHZOPMCRSGSI-UHFFFAOYSA-N Synonym: 4-isopropylphenylacetonitrile,2-4-isopropylphenyl acetonitrile,4-isopropylphenyl acetonitrile,2-4-propan-2-yl phenyl acetonitrile,4-propan-2-yl phenyl acetonitrile,pubchem17248,acmc-20ai20,2-4-propan-2-ylphenyl acetonitrile,2-4-methylethyl phenyl ethanenitrile PubChem CID: 138222 IUPAC Name: 2-(4-propan-2-ylphenyl)acetonitrile SMILES: CC(C)C1=CC=C(CC#N)C=C1

PubChem CID 138222
CAS 4395-87-3
Molecular Weight (g/mol) 159.23
MDL Number MFCD00040892
SMILES CC(C)C1=CC=C(CC#N)C=C1
Synonym 4-isopropylphenylacetonitrile,2-4-isopropylphenyl acetonitrile,4-isopropylphenyl acetonitrile,2-4-propan-2-yl phenyl acetonitrile,4-propan-2-yl phenyl acetonitrile,pubchem17248,acmc-20ai20,2-4-propan-2-ylphenyl acetonitrile,2-4-methylethyl phenyl ethanenitrile
IUPAC Name 2-(4-propan-2-ylphenyl)acetonitrile
InChI Key RIPHZOPMCRSGSI-UHFFFAOYSA-N
Molecular Formula C11H13N