Monoterpenoids

Monoterpenoids
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Thymol 99.0+%, TCI America™
CAS: 89-83-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00002309 InChI Key: MGSRCZKZVOBKFT-UHFFFAOYSA-N Synonym: thymol,2-isopropyl-5-methylphenol,5-methyl-2-isopropylphenol,thyme camphor,3-p-cymenol,6-isopropyl-m-cresol,thymic acid,isopropyl cresol,5-methyl-2-1-methylethyl phenol,6-isopropyl-3-methylphenol PubChem CID: 6989 ChEBI: CHEBI:27607 IUPAC Name: 5-methyl-2-propan-2-ylphenol SMILES: CC1=CC(=C(C=C1)C(C)C)O
PubChem CID | 6989 |
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CAS | 89-83-8 |
Molecular Weight (g/mol) | 150.221 |
ChEBI | CHEBI:27607 |
MDL Number | MFCD00002309 |
SMILES | CC1=CC(=C(C=C1)C(C)C)O |
Synonym | thymol,2-isopropyl-5-methylphenol,5-methyl-2-isopropylphenol,thyme camphor,3-p-cymenol,6-isopropyl-m-cresol,thymic acid,isopropyl cresol,5-methyl-2-1-methylethyl phenol,6-isopropyl-3-methylphenol |
IUPAC Name | 5-methyl-2-propan-2-ylphenol |
InChI Key | MGSRCZKZVOBKFT-UHFFFAOYSA-N |
Molecular Formula | C10H14O |
D(+)-10-Camphorsulfonic acid, 99%
CAS: 3144-16-9 Molecular Formula: C10H15O4S Molecular Weight (g/mol): 231.29 MDL Number: MFCD00064157,MFCD00074827 InChI Key: MIOPJNTWMNEORI-XVKPBYJWSA-M Synonym: 1s,4r-7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid,d-camphorsulfonic acid,r-camphorsulfonic acid,unii-9tlz01s15l,d-+-10-camphorsulfonic acid,d-+-camphor-10-sulfonic acid,dl-10-camphorsulfonic acid,camphor-10-sulfonic acid,camphersulfosaeure german,d-camphor-10-sulfonic acid PubChem CID: 65617 ChEBI: CHEBI:55403 IUPAC Name: [(1R,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid SMILES: CC1(C)[C@H]2CC[C@]1(CS([O-])(=O)=O)C(=O)C2
PubChem CID | 65617 |
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CAS | 3144-16-9 |
Molecular Weight (g/mol) | 231.29 |
ChEBI | CHEBI:55403 |
MDL Number | MFCD00064157,MFCD00074827 |
SMILES | CC1(C)[C@H]2CC[C@]1(CS([O-])(=O)=O)C(=O)C2 |
Synonym | 1s,4r-7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid,d-camphorsulfonic acid,r-camphorsulfonic acid,unii-9tlz01s15l,d-+-10-camphorsulfonic acid,d-+-camphor-10-sulfonic acid,dl-10-camphorsulfonic acid,camphor-10-sulfonic acid,camphersulfosaeure german,d-camphor-10-sulfonic acid |
IUPAC Name | [(1R,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid |
InChI Key | MIOPJNTWMNEORI-XVKPBYJWSA-M |
Molecular Formula | C10H15O4S |
Boiling Point | 207°C to 210°C (literature) |
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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 |
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.
Geranic acid, 98% (sum of isomers)
CAS: 459-80-3 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.24 MDL Number: MFCD00036493,MFCD20542837 InChI Key: ZHYZQXUYZJNEHD-VQHVLOKHSA-N Synonym: geranic acid,3,7-dimethylocta-2,6-dienoic acid,decaprenoic acid,trans-geranic acid,3,7-dimethyl-2,6-octadienoic acid,3,7-dimethyl-2e,6-octadienoic acid,neric acid,2e-3,7-dimethylocta-2,6-dienoic acid,e-3,7-dimethylocta-2,6-dienoic acid,nerolic acid PubChem CID: 5275520 ChEBI: CHEBI:67264 IUPAC Name: (2E)-3,7-dimethylocta-2,6-dienoic acid SMILES: CC(C)=CCC\C(C)=C\C(O)=O
PubChem CID | 5275520 |
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CAS | 459-80-3 |
Molecular Weight (g/mol) | 168.24 |
ChEBI | CHEBI:67264 |
MDL Number | MFCD00036493,MFCD20542837 |
SMILES | CC(C)=CCC\C(C)=C\C(O)=O |
Synonym | geranic acid,3,7-dimethylocta-2,6-dienoic acid,decaprenoic acid,trans-geranic acid,3,7-dimethyl-2,6-octadienoic acid,3,7-dimethyl-2e,6-octadienoic acid,neric acid,2e-3,7-dimethylocta-2,6-dienoic acid,e-3,7-dimethylocta-2,6-dienoic acid,nerolic acid |
IUPAC Name | (2E)-3,7-dimethylocta-2,6-dienoic acid |
InChI Key | ZHYZQXUYZJNEHD-VQHVLOKHSA-N |
Molecular Formula | C10H16O2 |
Nerol, 97%, Thermo Scientific Chemicals
CAS: 106-25-2 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00063204 InChI Key: GLZPCOQZEFWAFX-YFHOEESVSA-N Synonym: nerol,cis-geraniol,neryl alcohol,z-3,7-dimethylocta-2,6-dien-1-ol,z-geraniol,2z-3,7-dimethylocta-2,6-dien-1-ol,2,6-octadien-1-ol, 3,7-dimethyl-, 2z,nerol natural,cis-3,7-dimethyl-2,6-octadien-1-ol,z-3,7-dimethyl-2,6-octadien-1-ol PubChem CID: 643820 ChEBI: CHEBI:29452 IUPAC Name: (2Z)-3,7-dimethylocta-2,6-dien-1-ol SMILES: CC(C)=CCC\C(C)=C/CO
PubChem CID | 643820 |
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CAS | 106-25-2 |
Molecular Weight (g/mol) | 154.25 |
ChEBI | CHEBI:29452 |
MDL Number | MFCD00063204 |
SMILES | CC(C)=CCC\C(C)=C/CO |
Synonym | nerol,cis-geraniol,neryl alcohol,z-3,7-dimethylocta-2,6-dien-1-ol,z-geraniol,2z-3,7-dimethylocta-2,6-dien-1-ol,2,6-octadien-1-ol, 3,7-dimethyl-, 2z,nerol natural,cis-3,7-dimethyl-2,6-octadien-1-ol,z-3,7-dimethyl-2,6-octadien-1-ol |
IUPAC Name | (2Z)-3,7-dimethylocta-2,6-dien-1-ol |
InChI Key | GLZPCOQZEFWAFX-YFHOEESVSA-N |
Molecular Formula | C10H18O |
(-)-Carveol, mixture of isomers, 97%
CAS: 99-48-9 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00869995,MFCD00062993 InChI Key: BAVONGHXFVOKBV-UHFFFAOYNA-N Synonym: carveol,p-mentha-6,8-dien-2-ol,p-mentha-1,8-dien-6-ol,1-methyl-4-isopropenyl-6-cyclohexen-2-ol,2-cyclohexen-1-ol, 2-methyl-5-1-methylethenyl,p-mentha-1 6 ,8-dien-2-ol,5-isopropenyl-2-methyl-2-cyclohexen-1-ol,--carveol,l-carveol,2-methyl-5-1-methylethenyl-2-cyclohexen-1-ol PubChem CID: 7438 ChEBI: CHEBI:23046 IUPAC Name: 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol SMILES: CC(=C)C1CC=C(C)C(O)C1
PubChem CID | 7438 |
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CAS | 99-48-9 |
Molecular Weight (g/mol) | 152.24 |
ChEBI | CHEBI:23046 |
MDL Number | MFCD00869995,MFCD00062993 |
SMILES | CC(=C)C1CC=C(C)C(O)C1 |
Synonym | carveol,p-mentha-6,8-dien-2-ol,p-mentha-1,8-dien-6-ol,1-methyl-4-isopropenyl-6-cyclohexen-2-ol,2-cyclohexen-1-ol, 2-methyl-5-1-methylethenyl,p-mentha-1 6 ,8-dien-2-ol,5-isopropenyl-2-methyl-2-cyclohexen-1-ol,--carveol,l-carveol,2-methyl-5-1-methylethenyl-2-cyclohexen-1-ol |
IUPAC Name | 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol |
InChI Key | BAVONGHXFVOKBV-UHFFFAOYNA-N |
Molecular Formula | C10H16O |
(1S)-(-)-Camphorsulfonylimine, 98+%
CAS: 60886-80-8 Molecular Formula: C10H15NO2S Molecular Weight (g/mol): 213.30 MDL Number: MFCD00013315,MFCD00064576 InChI Key: ZAHOEBNYVSWBBW-UHFFFAOYNA-N Synonym: 1s,7s-10,10-dimethyl-3-thia-4-azatricyclo 5.2.1.0<1,5> dec-4-ene-3,3-dione,1s,7s-10,10-dimethyl-3??-thia-4-azatricyclo 5.2.1.0 1 ,? dec-4-ene-3,3-dione PubChem CID: 45925640 IUPAC Name: 10,10-dimethyl-3λ⁶-thia-4-azatricyclo[5.2.1.0¹,⁵]dec-4-ene-3,3-dione SMILES: CC1(C)C2CCC11CS(=O)(=O)N=C1C2
PubChem CID | 45925640 |
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CAS | 60886-80-8 |
Molecular Weight (g/mol) | 213.30 |
MDL Number | MFCD00013315,MFCD00064576 |
SMILES | CC1(C)C2CCC11CS(=O)(=O)N=C1C2 |
Synonym | 1s,7s-10,10-dimethyl-3-thia-4-azatricyclo 5.2.1.0<1,5> dec-4-ene-3,3-dione,1s,7s-10,10-dimethyl-3??-thia-4-azatricyclo 5.2.1.0 1 ,? dec-4-ene-3,3-dione |
IUPAC Name | 10,10-dimethyl-3λ⁶-thia-4-azatricyclo[5.2.1.0¹,⁵]dec-4-ene-3,3-dione |
InChI Key | ZAHOEBNYVSWBBW-UHFFFAOYNA-N |
Molecular Formula | C10H15NO2S |
(1R)-(-)-Camphor-10-sulfonic acid, 98%
CAS: 35963-20-3 Molecular Formula: C10H16O4S Molecular Weight (g/mol): 232.29 MDL Number: MFCD00150753,MFCD00064158 InChI Key: MIOPJNTWMNEORI-MHPPCMCBSA-N Synonym: l--camphorsulfonic acid,1r,4s-7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid,1r---camphor-10-sulfonic acid,unii-y6075i4fxe,camphorsulfonic acid,-,l---camphor-10-sulfonic acid,s-camphorsulfonic acid,1r,4s-7,7-dimethyl-2-oxobicyclo 2.2.1 hept-1-yl methanesulfonic acid,--camphor-10-sulfonic acid PubChem CID: 5771688 ChEBI: CHEBI:55401 SMILES: CC1(C)C2CC[C@]1(CS(O)(=O)=O)C(=O)C2
PubChem CID | 5771688 |
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CAS | 35963-20-3 |
Molecular Weight (g/mol) | 232.29 |
ChEBI | CHEBI:55401 |
MDL Number | MFCD00150753,MFCD00064158 |
SMILES | CC1(C)C2CC[C@]1(CS(O)(=O)=O)C(=O)C2 |
Synonym | l--camphorsulfonic acid,1r,4s-7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid,1r---camphor-10-sulfonic acid,unii-y6075i4fxe,camphorsulfonic acid,-,l---camphor-10-sulfonic acid,s-camphorsulfonic acid,1r,4s-7,7-dimethyl-2-oxobicyclo 2.2.1 hept-1-yl methanesulfonic acid,--camphor-10-sulfonic acid |
InChI Key | MIOPJNTWMNEORI-MHPPCMCBSA-N |
Molecular Formula | C10H16O4S |
4-Chloro-2-isopropyl-5-methylphenol, 99%
CAS: 89-68-9 Molecular Formula: C10H13ClO Molecular Weight (g/mol): 184.66 MDL Number: MFCD00002326 InChI Key: KFZXVMNBUMVKLN-UHFFFAOYSA-N Synonym: chlorothymol,6-chlorothymol,4-chloro-2-isopropyl-5-methylphenol,chlorthymol,4-chlorothymol,thymol, 6-chloro,phenol, 4-chloro-5-methyl-2-1-methylethyl,caswell no. 216,4-chloro-6-isopropyl-3-methylphenol,unii-lj25ti0cvt PubChem CID: 6982 IUPAC Name: 4-chloro-5-methyl-2-propan-2-ylphenol SMILES: CC(C)C1=CC(Cl)=C(C)C=C1O
PubChem CID | 6982 |
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CAS | 89-68-9 |
Molecular Weight (g/mol) | 184.66 |
MDL Number | MFCD00002326 |
SMILES | CC(C)C1=CC(Cl)=C(C)C=C1O |
Synonym | chlorothymol,6-chlorothymol,4-chloro-2-isopropyl-5-methylphenol,chlorthymol,4-chlorothymol,thymol, 6-chloro,phenol, 4-chloro-5-methyl-2-1-methylethyl,caswell no. 216,4-chloro-6-isopropyl-3-methylphenol,unii-lj25ti0cvt |
IUPAC Name | 4-chloro-5-methyl-2-propan-2-ylphenol |
InChI Key | KFZXVMNBUMVKLN-UHFFFAOYSA-N |
Molecular Formula | C10H13ClO |
Citronellic acid, 94%
CAS: 502-47-6 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD00002728 InChI Key: GJWSUKYXUMVMGX-UHFFFAOYNA-N Synonym: citronellic acid,3,7-dimethyl-6-octenoic acid,rhodinolic acid,citronellate,rhodinic acid,6-octenoic acid, 3,7-dimethyl,fema no. 3142,citronellicacid,callitrol,acmc-20apjr PubChem CID: 10402 ChEBI: CHEBI:80507 IUPAC Name: 3,7-dimethyloct-6-enoic acid SMILES: CC(CCC=C(C)C)CC(O)=O
PubChem CID | 10402 |
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CAS | 502-47-6 |
Molecular Weight (g/mol) | 170.25 |
ChEBI | CHEBI:80507 |
MDL Number | MFCD00002728 |
SMILES | CC(CCC=C(C)C)CC(O)=O |
Synonym | citronellic acid,3,7-dimethyl-6-octenoic acid,rhodinolic acid,citronellate,rhodinic acid,6-octenoic acid, 3,7-dimethyl,fema no. 3142,citronellicacid,callitrol,acmc-20apjr |
IUPAC Name | 3,7-dimethyloct-6-enoic acid |
InChI Key | GJWSUKYXUMVMGX-UHFFFAOYNA-N |
Molecular Formula | C10H18O2 |
1,4-Diisopropylbenzene, 98%
CAS: 100-18-5 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.28 MDL Number: MFCD00008892 InChI Key: SPPWGCYEYAMHDT-UHFFFAOYSA-N Synonym: 1,4-diisopropylbenzene,p-diisopropylbenzene,benzene, p-diisopropyl,benzene, 1,4-bis 1-methylethyl,para-diisopropylbenzene,p-diisopropylbenzol,1,4-bis 1-methylethyl benzene,unii-5m62031nzp,1,4-di propan-2-yl benzene,dsstox_cid_6652 PubChem CID: 7486 IUPAC Name: 1,4-di(propan-2-yl)benzene SMILES: CC(C)C1=CC=C(C=C1)C(C)C
PubChem CID | 7486 |
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CAS | 100-18-5 |
Molecular Weight (g/mol) | 162.28 |
MDL Number | MFCD00008892 |
SMILES | CC(C)C1=CC=C(C=C1)C(C)C |
Synonym | 1,4-diisopropylbenzene,p-diisopropylbenzene,benzene, p-diisopropyl,benzene, 1,4-bis 1-methylethyl,para-diisopropylbenzene,p-diisopropylbenzol,1,4-bis 1-methylethyl benzene,unii-5m62031nzp,1,4-di propan-2-yl benzene,dsstox_cid_6652 |
IUPAC Name | 1,4-di(propan-2-yl)benzene |
InChI Key | SPPWGCYEYAMHDT-UHFFFAOYSA-N |
Molecular Formula | C12H18 |
(+/-)-Camphorquinone, 99%
CAS: 10373-78-1 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00064160 InChI Key: VNQXSTWCDUXYEZ-UHFFFAOYSA-N Synonym: camphorquinone,dl-camphorquinone,camphoroquinone,2,3-bornanedione,camphor quinone,camphoquinone,1,7,7-trimethylbicyclo 2.2.1 heptane-2,3-dione,bornane-2,3-dione,bicyclo 2.2.1 heptane-2,3-dione, 1,7,7-trimethyl,+/--camphorquinone PubChem CID: 25208 ChEBI: CHEBI:34607 IUPAC Name: 4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione SMILES: CC1(C2CCC1(C(=O)C2=O)C)C
PubChem CID | 25208 |
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CAS | 10373-78-1 |
Molecular Weight (g/mol) | 166.22 |
ChEBI | CHEBI:34607 |
MDL Number | MFCD00064160 |
SMILES | CC1(C2CCC1(C(=O)C2=O)C)C |
Synonym | camphorquinone,dl-camphorquinone,camphoroquinone,2,3-bornanedione,camphor quinone,camphoquinone,1,7,7-trimethylbicyclo 2.2.1 heptane-2,3-dione,bornane-2,3-dione,bicyclo 2.2.1 heptane-2,3-dione, 1,7,7-trimethyl,+/--camphorquinone |
IUPAC Name | 4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione |
InChI Key | VNQXSTWCDUXYEZ-UHFFFAOYSA-N |
Molecular Formula | C10H14O2 |
(1S)-(+)-Camphor-10-sulfonic acid, 98+%(dry wt.), water <2%
CAS: 3144-16-9 Molecular Formula: C10H15O4S Molecular Weight (g/mol): 231.29 MDL Number: MFCD00064157,MFCD00074827 InChI Key: MIOPJNTWMNEORI-XVKPBYJWSA-M Synonym: 1s,4r-7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid,d-camphorsulfonic acid,r-camphorsulfonic acid,unii-9tlz01s15l,d-+-10-camphorsulfonic acid,d-+-camphor-10-sulfonic acid,dl-10-camphorsulfonic acid,camphor-10-sulfonic acid,camphersulfosaeure german,d-camphor-10-sulfonic acid PubChem CID: 65617 ChEBI: CHEBI:55403 IUPAC Name: [(1R,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid SMILES: CC1(C)[C@H]2CC[C@]1(CS([O-])(=O)=O)C(=O)C2
PubChem CID | 65617 |
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CAS | 3144-16-9 |
Molecular Weight (g/mol) | 231.29 |
ChEBI | CHEBI:55403 |
MDL Number | MFCD00064157,MFCD00074827 |
SMILES | CC1(C)[C@H]2CC[C@]1(CS([O-])(=O)=O)C(=O)C2 |
Synonym | 1s,4r-7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid,d-camphorsulfonic acid,r-camphorsulfonic acid,unii-9tlz01s15l,d-+-10-camphorsulfonic acid,d-+-camphor-10-sulfonic acid,dl-10-camphorsulfonic acid,camphor-10-sulfonic acid,camphersulfosaeure german,d-camphor-10-sulfonic acid |
IUPAC Name | [(1R,4S)-7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl]methanesulfonic acid |
InChI Key | MIOPJNTWMNEORI-XVKPBYJWSA-M |
Molecular Formula | C10H15O4S |
Menthofuran, 95%
CAS: 494-90-6 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00041851 InChI Key: YGWKXXYGDYYFJU-UHFFFAOYSA-N Synonym: menthofuran,menthofurane,3,9-epoxy-p-mentha-3,8-diene,benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl,p-mentha-3,8-diene, 3,9-epoxy,4,5,6,7-tetrahydro-3,6-dimethylbenzofuran,fema no. 3235,4,5,6,7-tetrahydro-3,6-dimethylcoumarone,r-menthofuran,3,6-dimethyl-4,5,6,7-tetrahydrobenzo 2,1-b furan PubChem CID: 329983 ChEBI: CHEBI:50542 IUPAC Name: 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran SMILES: CC1CCC2=C(C1)OC=C2C
PubChem CID | 329983 |
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CAS | 494-90-6 |
Molecular Weight (g/mol) | 150.221 |
ChEBI | CHEBI:50542 |
MDL Number | MFCD00041851 |
SMILES | CC1CCC2=C(C1)OC=C2C |
Synonym | menthofuran,menthofurane,3,9-epoxy-p-mentha-3,8-diene,benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl,p-mentha-3,8-diene, 3,9-epoxy,4,5,6,7-tetrahydro-3,6-dimethylbenzofuran,fema no. 3235,4,5,6,7-tetrahydro-3,6-dimethylcoumarone,r-menthofuran,3,6-dimethyl-4,5,6,7-tetrahydrobenzo 2,1-b furan |
IUPAC Name | 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzofuran |
InChI Key | YGWKXXYGDYYFJU-UHFFFAOYSA-N |
Molecular Formula | C10H14O |