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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1 – 15 of 291 results

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(+)-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

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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

Terpinolene 90.0+%, TCI America™

CAS: 586-62-9 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00049191 InChI Key: MOYAFQVGZZPNRA-UHFFFAOYSA-N Synonym: terpinolene,isoterpinene,terpinolen,alpha-terpinolene,1,4 8-p-menthadiene,p-mentha-1,4 8-diene,4-isopropylidene-1-methylcyclohexene,tereben,p-menth-1,4 8-diene,cyclohexene, 1-methyl-4-1-methylethylidene PubChem CID: 11463 ChEBI: CHEBI:9457 IUPAC Name: 1-methyl-4-(propan-2-ylidene)cyclohex-1-ene SMILES: CC(C)=C1CCC(C)=CC1

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PubChem CID	11463
CAS	586-62-9
Molecular Weight (g/mol)	136.24
ChEBI	CHEBI:9457
MDL Number	MFCD00049191
SMILES	CC(C)=C1CCC(C)=CC1
Synonym	terpinolene,isoterpinene,terpinolen,alpha-terpinolene,1,4 8-p-menthadiene,p-mentha-1,4 8-diene,4-isopropylidene-1-methylcyclohexene,tereben,p-menth-1,4 8-diene,cyclohexene, 1-methyl-4-1-methylethylidene
IUPAC Name	1-methyl-4-(propan-2-ylidene)cyclohex-1-ene
InChI Key	MOYAFQVGZZPNRA-UHFFFAOYSA-N
Molecular Formula	C10H16

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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

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Specifications

PubChem CID	329983
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

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(+/-)-Camphor-10-sulfonic acid, 98%

CAS: 8-2-5872 Molecular Formula: C10H16O4S Molecular Weight (g/mol): 232.29 MDL Number: MFCD00074827 InChI Key: MIOPJNTWMNEORI-UHFFFAOYNA-N Synonym: reychler's acid,camphorsulfonic acid,d-camphorsulfonic acid,camphersulfosaeure,--10-camphorsulfonic acid,2-oxobornane-10-sulphonic acid,d-10-camphorsulfonic acid,7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid,l-camphor-10-sulfonic acid,+-10-camphorsulfonic acid PubChem CID: 18462 ChEBI: CHEBI:55379 IUPAC Name: (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid SMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C

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Specifications

PubChem CID	18462
CAS	8-2-5872
Molecular Weight (g/mol)	232.29
ChEBI	CHEBI:55379
MDL Number	MFCD00074827
SMILES	CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C
Synonym	reychler's acid,camphorsulfonic acid,d-camphorsulfonic acid,camphersulfosaeure,--10-camphorsulfonic acid,2-oxobornane-10-sulphonic acid,d-10-camphorsulfonic acid,7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid,l-camphor-10-sulfonic acid,+-10-camphorsulfonic acid
IUPAC Name	(7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid
InChI Key	MIOPJNTWMNEORI-UHFFFAOYNA-N
Molecular Formula	C10H16O4S

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(-)-beta-Citronellol, 97%

CAS: 7540-51-4 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD00063214 InChI Key: QMVPMAAFGQKVCJ-JTQLQIEISA-N Synonym: --citronellol,s-3,7-dimethyloct-6-en-1-ol,--beta-citronellol,s---citronellol,beta-rhodinol,s---beta-citronellol,s-citronellol,--3,7-dimethyloct-6-en-1-ol,3s-3,7-dimethyloct-6-en-1-ol,unii-8rsy5y5658 PubChem CID: 7793 ChEBI: CHEBI:88 IUPAC Name: (3S)-3,7-dimethyloct-6-en-1-ol SMILES: CC(CCC=C(C)C)CCO

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Specifications

PubChem CID	7793
CAS	7540-51-4
Molecular Weight (g/mol)	156.269
ChEBI	CHEBI:88
MDL Number	MFCD00063214
SMILES	CC(CCC=C(C)C)CCO
Synonym	--citronellol,s-3,7-dimethyloct-6-en-1-ol,--beta-citronellol,s---citronellol,beta-rhodinol,s---beta-citronellol,s-citronellol,--3,7-dimethyloct-6-en-1-ol,3s-3,7-dimethyloct-6-en-1-ol,unii-8rsy5y5658
IUPAC Name	(3S)-3,7-dimethyloct-6-en-1-ol
InChI Key	QMVPMAAFGQKVCJ-JTQLQIEISA-N
Molecular Formula	C10H20O

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(1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate, 98%

CAS: 1517-82-4 Molecular Formula: C₁₇H₂₆O₂S Molecular Weight (g/mol): 294.46 InChI Key: NQICGNSARVCSGJ-DSRNLFJRSA-N Synonym: 1r,2s,5r---menthyl s-p-toluenesulfinate,4-methylbenzenesulfinic acid 1r,5r-2-isopropyl-5-methylcyclohexyl ester PubChem CID: 101348873 IUPAC Name: [(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-methylbenzenesulfinate SMILES: CC1CCC(C(C1)OS(=O)C2=CC=C(C=C2)C)C(C)C

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Specifications

PubChem CID	101348873
CAS	1517-82-4
Molecular Weight (g/mol)	294.46
SMILES	CC1CCC(C(C1)OS(=O)C2=CC=C(C=C2)C)C(C)C
Synonym	1r,2s,5r---menthyl s-p-toluenesulfinate,4-methylbenzenesulfinic acid 1r,5r-2-isopropyl-5-methylcyclohexyl ester
IUPAC Name	[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-methylbenzenesulfinate
InChI Key	NQICGNSARVCSGJ-DSRNLFJRSA-N
Molecular Formula	C₁₇H₂₆O₂S

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(1S)-(-)-alpha-Pinene, 98%

CAS: 7785-26-4 Molecular Formula: C₁₀H₁₆ Molecular Weight (g/mol): 136.24 InChI Key: GRWFGVWFFZKLTI-IUCAKERBSA-N Synonym: --alpha-pinene,1s,5s-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1s---alpha-pinene,unii-tzr3gm95pr,dl-alpha-pinene,alpha-pinene,-,1s,5s-alpha-pinene,tzr3gm95pr,1s,5s-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1s,5s PubChem CID: 440968 ChEBI: CHEBI:28660 IUPAC Name: (1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene SMILES: CC1=CCC2CC1C2(C)C

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Specifications

PubChem CID	440968
CAS	7785-26-4
Molecular Weight (g/mol)	136.24
ChEBI	CHEBI:28660
SMILES	CC1=CCC2CC1C2(C)C
Synonym	--alpha-pinene,1s,5s-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1s---alpha-pinene,unii-tzr3gm95pr,dl-alpha-pinene,alpha-pinene,-,1s,5s-alpha-pinene,tzr3gm95pr,1s,5s-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1s,5s
IUPAC Name	(1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
InChI Key	GRWFGVWFFZKLTI-IUCAKERBSA-N
Molecular Formula	C₁₀H₁₆

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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

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Specifications

PubChem CID	65617
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

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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

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Specifications

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

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(1R)-(+)-Camphor, 98%

CAS: 464-49-3 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00064149,MFCD00074738,MFCD00064149,MFCD00064149 InChI Key: DSSYKIVIOFKYAU-XVKPBYJWSA-N Synonym: +-camphor,d-camphor,1r-+-camphor,r-camphor,+-bornan-2-one,r-+-camphor,1r,4r-1,7,7-trimethylbicyclo 2.2.1 heptan-2-one,1r,4r-camphor,camphor d,+-2-bornanone PubChem CID: 159055 ChEBI: CHEBI:15396 IUPAC Name: (1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one SMILES: CC1(C)[C@H]2CC[C@@]1(C)C(=O)C2

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Specifications

PubChem CID	159055
CAS	464-49-3
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:15396
MDL Number	MFCD00064149,MFCD00074738,MFCD00064149,MFCD00064149
SMILES	CC1(C)[C@H]2CC[C@@]1(C)C(=O)C2
Synonym	+-camphor,d-camphor,1r-+-camphor,r-camphor,+-bornan-2-one,r-+-camphor,1r,4r-1,7,7-trimethylbicyclo 2.2.1 heptan-2-one,1r,4r-camphor,camphor d,+-2-bornanone
IUPAC Name	(1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
InChI Key	DSSYKIVIOFKYAU-XVKPBYJWSA-N
Molecular Formula	C10H16O

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L(-)-Carvone, 99%

CAS: 6485-40-1 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00001578 InChI Key: ULDHMXUKGWMISQ-SECBINFHSA-N Synonym: --carvone,l-carvone,r---carvone,l--carvone,r-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,4r-carvone,levo-carvone,--p-mentha-6,8-dien-2-one,--r-carvone PubChem CID: 439570 ChEBI: CHEBI:15400 IUPAC Name: (5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one SMILES: CC(=C)[C@@H]1CC=C(C)C(=O)C1

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Specifications

PubChem CID	439570
CAS	6485-40-1
Molecular Weight (g/mol)	150.22
ChEBI	CHEBI:15400
MDL Number	MFCD00001578
SMILES	CC(=C)[C@@H]1CC=C(C)C(=O)C1
Synonym	--carvone,l-carvone,r---carvone,l--carvone,r-2-methyl-5-prop-1-en-2-yl cyclohex-2-enone,4r-carvone,levo-carvone,--p-mentha-6,8-dien-2-one,--r-carvone
IUPAC Name	(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
InChI Key	ULDHMXUKGWMISQ-SECBINFHSA-N
Molecular Formula	C10H14O

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1,4-Diisopropylbenzene, 99%

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 SMILES: CC(C)C1=CC=C(C=C1)C(C)C

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Specifications

PubChem CID	7486
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
InChI Key	SPPWGCYEYAMHDT-UHFFFAOYSA-N
Molecular Formula	C12H18

(-)-Terpinen-4-ol, 97%, sum of enantiomers

CAS: 20126-76-5 Molecular Formula: C₁₀H₁₈O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00167108 InChI Key: WRYLYDPHFGVWKC-JTQLQIEISA-N Synonym: --terpinen-4-ol,--4-terpineol,unii-8vi196vs5t,p-menth-1-en-4-ol, r--,r-p-menth-1-en-4-ol,3-cyclohexen-1-ol, 4-methyl-1-1-methylethyl-, r,3-cyclohexen-1-ol, 4-methyl-1-1-methylethyl-, 1r,r-1-isopropyl-4-methyl-3-cyclohexen-1-ol,l-4-terpineneol,l-4-terpineol PubChem CID: 5325830 IUPAC Name: (1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol SMILES: CC1=CCC(CC1)(C(C)C)O

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Specifications

PubChem CID	5325830
CAS	20126-76-5
Molecular Weight (g/mol)	154.25
MDL Number	MFCD00167108
SMILES	CC1=CCC(CC1)(C(C)C)O
Synonym	--terpinen-4-ol,--4-terpineol,unii-8vi196vs5t,p-menth-1-en-4-ol, r--,r-p-menth-1-en-4-ol,3-cyclohexen-1-ol, 4-methyl-1-1-methylethyl-, r,3-cyclohexen-1-ol, 4-methyl-1-1-methylethyl-, 1r,r-1-isopropyl-4-methyl-3-cyclohexen-1-ol,l-4-terpineneol,l-4-terpineol
IUPAC Name	(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
InChI Key	WRYLYDPHFGVWKC-JTQLQIEISA-N
Molecular Formula	C₁₀H₁₈O

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(R)-(-)-Linalool, 95% (sum of enantiomers)

CAS: 126-91-0 Molecular Formula: C₁₀H₁₈O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00135469 InChI Key: CDOSHBSSFJOMGT-JTQLQIEISA-N Synonym: --linalool,3r-linalool,r---linalool,unii-3u21e3v8i2,1,6-octadien-3-ol, 3,7-dimethyl-, 3r,3r-3,7-dimethylocta-1,6-dien-3-ol,l-linalool,3r,7-dimethylocta-1,6-dien-3-ol,r-3,7-dimethylocta-1,6-dien-3-ol,linalool + PubChem CID: 443158 ChEBI: CHEBI:28 IUPAC Name: (3R)-3,7-dimethylocta-1,6-dien-3-ol SMILES: CC(=CCCC(C)(C=C)O)C

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Specifications

PubChem CID	443158
CAS	126-91-0
Molecular Weight (g/mol)	154.25
ChEBI	CHEBI:28
MDL Number	MFCD00135469
SMILES	CC(=CCCC(C)(C=C)O)C
Synonym	--linalool,3r-linalool,r---linalool,unii-3u21e3v8i2,1,6-octadien-3-ol, 3,7-dimethyl-, 3r,3r-3,7-dimethylocta-1,6-dien-3-ol,l-linalool,3r,7-dimethylocta-1,6-dien-3-ol,r-3,7-dimethylocta-1,6-dien-3-ol,linalool +
IUPAC Name	(3R)-3,7-dimethylocta-1,6-dien-3-ol
InChI Key	CDOSHBSSFJOMGT-JTQLQIEISA-N
Molecular Formula	C₁₀H₁₈O

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Geranylacetone, (E)+(Z), 97%, (Z)-isomer (nerylacetone) ca 45%

CAS: 689-67-8 Molecular Formula: C13H22O Molecular Weight (g/mol): 194.318 MDL Number: MFCD00008910 InChI Key: HNZUNIKWNYHEJJ-FMIVXFBMSA-N Synonym: geranylacetone,geranyl acetone,e-6,10-dimethylundeca-5,9-dien-2-one,trans-geranylacetone,5e-6,10-dimethylundeca-5,9-dien-2-one,geranylacetone, trans,dihydropseudoionone,6,10-dimethylundeca-5,9-dien-2-one,e-6,10-dimethyl-5,9-undecadien-2-one,unii-9b7ry79u9z PubChem CID: 1549778 ChEBI: CHEBI:67206 IUPAC Name: (5E)-6,10-dimethylundeca-5,9-dien-2-one SMILES: CC(=CCCC(=CCCC(=O)C)C)C

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Specifications

PubChem CID	1549778
CAS	689-67-8
Molecular Weight (g/mol)	194.318
ChEBI	CHEBI:67206
MDL Number	MFCD00008910
SMILES	CC(=CCCC(=CCCC(=O)C)C)C
Synonym	geranylacetone,geranyl acetone,e-6,10-dimethylundeca-5,9-dien-2-one,trans-geranylacetone,5e-6,10-dimethylundeca-5,9-dien-2-one,geranylacetone, trans,dihydropseudoionone,6,10-dimethylundeca-5,9-dien-2-one,e-6,10-dimethyl-5,9-undecadien-2-one,unii-9b7ry79u9z
IUPAC Name	(5E)-6,10-dimethylundeca-5,9-dien-2-one
InChI Key	HNZUNIKWNYHEJJ-FMIVXFBMSA-N
Molecular Formula	C13H22O

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