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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(-)-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

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Specifications

PubChem CID	7438
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

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(R)-(-)-Carvone, 98%

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 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
InChI Key	ULDHMXUKGWMISQ-SECBINFHSA-N
Molecular Formula	C10H14O

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

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Specifications

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

2-Methyl-5-isopropylaniline, Thermo Scientific Chemicals

CAS: 2051-53-8 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.24 MDL Number: MFCD00044503 InChI Key: YKWALWNGEXPARQ-UHFFFAOYSA-N IUPAC Name: 2-methyl-5-(propan-2-yl)aniline SMILES: CC(C)C1=CC=C(C)C(N)=C1

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Specifications

CAS	2051-53-8
Molecular Weight (g/mol)	149.24
MDL Number	MFCD00044503
SMILES	CC(C)C1=CC=C(C)C(N)=C1
IUPAC Name	2-methyl-5-(propan-2-yl)aniline
InChI Key	YKWALWNGEXPARQ-UHFFFAOYSA-N
Molecular Formula	C10H15N

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Linalyl acetate, 95%, synthetic

CAS: 115-95-7 Molecular Formula: C₁₂H₂₀O₂ Molecular Weight (g/mol): 196.28 MDL Number: MFCD00008907 InChI Key: UWKAYLJWKGQEPM-UHFFFAOYSA-N Synonym: linalyl acetate,linalool acetate,bergamiol,bergamol,linalol acetate,lynalyl acetate,licareol acetate,bergamot mint oil,acetic acid linalool ester,3,7-dimethyl-1,6-octadien-3-ol acetate PubChem CID: 8294 ChEBI: CHEBI:78333 IUPAC Name: 3,7-dimethylocta-1,6-dien-3-yl acetate SMILES: CC(=CCCC(C)(C=C)OC(=O)C)C

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Specifications

PubChem CID	8294
CAS	115-95-7
Molecular Weight (g/mol)	196.28
ChEBI	CHEBI:78333
MDL Number	MFCD00008907
SMILES	CC(=CCCC(C)(C=C)OC(=O)C)C
Synonym	linalyl acetate,linalool acetate,bergamiol,bergamol,linalol acetate,lynalyl acetate,licareol acetate,bergamot mint oil,acetic acid linalool ester,3,7-dimethyl-1,6-octadien-3-ol acetate
IUPAC Name	3,7-dimethylocta-1,6-dien-3-yl acetate
InChI Key	UWKAYLJWKGQEPM-UHFFFAOYSA-N
Molecular Formula	C₁₂H₂₀O₂

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alpha-Terpinene, 90%, tech.

CAS: 99-86-5 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00001534 InChI Key: YHQGMYUVUMAZJR-UHFFFAOYSA-N Synonym: alpha-terpinene,p-mentha-1,3-diene,terpilene,1-isopropyl-4-methyl-1,3-cyclohexadiene,1,3-cyclohexadiene, 1-methyl-4-1-methylethyl,alpha-terpinen,1-methyl-4-1-methylethyl-1,3-cyclohexadiene,1-methyl-4-isopropylcyclohexadiene-1,3,.alpha.-terpinen,.alpha.-terpinene PubChem CID: 7462 ChEBI: CHEBI:10334 IUPAC Name: 1-methyl-4-propan-2-ylcyclohexa-1,3-diene SMILES: CC(C)C1=CC=C(C)CC1

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PubChem CID	7462
CAS	99-86-5
Molecular Weight (g/mol)	136.24
ChEBI	CHEBI:10334
MDL Number	MFCD00001534
SMILES	CC(C)C1=CC=C(C)CC1
Synonym	alpha-terpinene,p-mentha-1,3-diene,terpilene,1-isopropyl-4-methyl-1,3-cyclohexadiene,1,3-cyclohexadiene, 1-methyl-4-1-methylethyl,alpha-terpinen,1-methyl-4-1-methylethyl-1,3-cyclohexadiene,1-methyl-4-isopropylcyclohexadiene-1,3,.alpha.-terpinen,.alpha.-terpinene
IUPAC Name	1-methyl-4-propan-2-ylcyclohexa-1,3-diene
InChI Key	YHQGMYUVUMAZJR-UHFFFAOYSA-N
Molecular Formula	C10H16

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L(-)-Perillaldehyde, 90%

CAS: 18031-40-8 Molecular Formula: C₁₀H₁₄O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00001543 InChI Key: RUMOYJJNUMEFDD-SNVBAGLBSA-N Synonym: --perillaldehyde,s---perillaldehyde,s-4-prop-1-en-2-yl cyclohex-1-enecarbaldehyde,l-perillaldehyde,s-p-mentha-1,8-dien-7-al,unii-5el0y7p6lp,--perillaaldehyde,perillaldehyde,-,s-4-isopropenyl-1-cyclohexene-1-carboxaldehyde,1-cyclohexene-1-carboxaldehyde, 4-1-methylethenyl-, 4s PubChem CID: 2724159 ChEBI: CHEBI:86938 IUPAC Name: (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde SMILES: CC(=C)C1CCC(=CC1)C=O

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Specifications

PubChem CID	2724159
CAS	18031-40-8
Molecular Weight (g/mol)	150.22
ChEBI	CHEBI:86938
MDL Number	MFCD00001543
SMILES	CC(=C)C1CCC(=CC1)C=O
Synonym	--perillaldehyde,s---perillaldehyde,s-4-prop-1-en-2-yl cyclohex-1-enecarbaldehyde,l-perillaldehyde,s-p-mentha-1,8-dien-7-al,unii-5el0y7p6lp,--perillaaldehyde,perillaldehyde,-,s-4-isopropenyl-1-cyclohexene-1-carboxaldehyde,1-cyclohexene-1-carboxaldehyde, 4-1-methylethenyl-, 4s
IUPAC Name	(4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
InChI Key	RUMOYJJNUMEFDD-SNVBAGLBSA-N
Molecular Formula	C₁₀H₁₄O

Pulegone, 92%, pract.

CAS: 89-82-7 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00063000 InChI Key: NZGWDASTMWDZIW-QMMMGPOBSA-N Synonym: --pulegone,s---pulegone,pulegone,-,unii-hl7z89m60h,cyclohexanone, 5-methyl-2-1-methylethylidene-, s,s-p-menth-4 8-en-3-one,s-2-isopropylidene-5-methylcyclohexanone,5s-5-methyl-2-propan-2-ylidenecyclohexan-1-one PubChem CID: 638012 ChEBI: CHEBI:81226 IUPAC Name: (5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one SMILES: CC1CCC(=C(C)C)C(=O)C1

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Specifications

PubChem CID	638012
CAS	89-82-7
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:81226
MDL Number	MFCD00063000
SMILES	CC1CCC(=C(C)C)C(=O)C1
Synonym	--pulegone,s---pulegone,pulegone,-,unii-hl7z89m60h,cyclohexanone, 5-methyl-2-1-methylethylidene-, s,s-p-menth-4 8-en-3-one,s-2-isopropylidene-5-methylcyclohexanone,5s-5-methyl-2-propan-2-ylidenecyclohexan-1-one
IUPAC Name	(5S)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
InChI Key	NZGWDASTMWDZIW-QMMMGPOBSA-N
Molecular Formula	C₁₀H₁₆O

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Thermo Scientific Chemicals Thymolphthalein, ACS reagent

CAS: 125-20-2 Molecular Formula: C₂₈H₃₀O₄ Molecular Weight (g/mol): 430.53 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

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Specifications

PubChem CID	31316
CAS	125-20-2
Molecular Weight (g/mol)	430.53
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

Di-μ-chlorobis(p-cymene)chlororuthenium(II), 98%

CAS: 52462-29-0 Molecular Formula: C₂₀H₂₈Cl₄Ru₂ Molecular Weight (g/mol): 612.39 MDL Number: MFCD00064793 InChI Key: LAXRNWSASWOFOT-UHFFFAOYSA-J Synonym: dichloro p-cymene ruthenium ii dimer,di-mu-chloro-bis chloro p-cymene ruthenium ii,rucl2 p-cymene 2,ru p-cymene cl2 2,dichloro p-cymene ruthenium dimer,p-cymene ruthenium ii chloride dimer,dichloro-p-cymene ruthenium ii dimer PubChem CID: 10908223 IUPAC Name: dichlororuthenium;1-methyl-4-propan-2-ylbenzene SMILES: CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.Cl[Ru]Cl.Cl[Ru]Cl

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Specifications

PubChem CID	10908223
CAS	52462-29-0
Molecular Weight (g/mol)	612.39
MDL Number	MFCD00064793
SMILES	CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)C(C)C.Cl[Ru]Cl.Cl[Ru]Cl
Synonym	dichloro p-cymene ruthenium ii dimer,di-mu-chloro-bis chloro p-cymene ruthenium ii,rucl2 p-cymene 2,ru p-cymene cl2 2,dichloro p-cymene ruthenium dimer,p-cymene ruthenium ii chloride dimer,dichloro-p-cymene ruthenium ii dimer
IUPAC Name	dichlororuthenium;1-methyl-4-propan-2-ylbenzene
InChI Key	LAXRNWSASWOFOT-UHFFFAOYSA-J
Molecular Formula	C₂₀H₂₈Cl₄Ru₂

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D(+)-Fenchone, 97%

CAS: 4695-62-9 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00070689 InChI Key: LHXDLQBQYFFVNW-XCBNKYQSSA-N Synonym: +-fenchone,1s-1,3,3-trimethylbicyclo 2.2.1 heptan-2-one,1s-1,3,3-trimethyl-norbornan-2-one PubChem CID: 1201521 ChEBI: CHEBI:165 IUPAC Name: (1R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one SMILES: CC1(C2CCC(C2)(C1=O)C)C

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Specifications

PubChem CID	1201521
CAS	4695-62-9
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:165
MDL Number	MFCD00070689
SMILES	CC1(C2CCC(C2)(C1=O)C)C
Synonym	+-fenchone,1s-1,3,3-trimethylbicyclo 2.2.1 heptan-2-one,1s-1,3,3-trimethyl-norbornan-2-one
IUPAC Name	(1R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
InChI Key	LHXDLQBQYFFVNW-XCBNKYQSSA-N
Molecular Formula	C₁₀H₁₆O

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(1S)-(-)-Verbenone, 94%

CAS: 1196-01-6 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00001343 InChI Key: DCSCXTJOXBUFGB-JGVFFNPUSA-N Synonym: levoverbenone,--verbenone,l-verbenone,1s---verbenone,--2-pinen-4-one,verbenone,unii-2xp0j7754u,1s,5s-4,6,6-trimethylbicyclo 3.1.1 hept-3-en-2-one,verbenone, l,bicyclo 3.1.1 hept-3-en-2-one, 4,6,6-trimethyl-, 1s,5s PubChem CID: 92874 ChEBI: CHEBI:78316 IUPAC Name: (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-one SMILES: CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C

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Specifications

PubChem CID	92874
CAS	1196-01-6
Molecular Weight (g/mol)	150.22
ChEBI	CHEBI:78316
MDL Number	MFCD00001343
SMILES	CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
Synonym	levoverbenone,--verbenone,l-verbenone,1s---verbenone,--2-pinen-4-one,verbenone,unii-2xp0j7754u,1s,5s-4,6,6-trimethylbicyclo 3.1.1 hept-3-en-2-one,verbenone, l,bicyclo 3.1.1 hept-3-en-2-one, 4,6,6-trimethyl-, 1s,5s
IUPAC Name	(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-one
InChI Key	DCSCXTJOXBUFGB-JGVFFNPUSA-N
Molecular Formula	C10H14O

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(+)-Dihydrocarvone, 98%, mixture of isomers

CAS: 5524-05-0 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00001636 InChI Key: AZOCECCLWFDTAP-RKDXNWHRSA-N Synonym: +-dihydrocarvone,d-dihydrocarvone,1r,4r-dihydrocarvone,e-dihydrocarvone,unii-vta43h364z,2r-trans-2-methyl-5-1-methylvinyl cyclohexan-1-one,2r,5r-2-methyl-5-isopropenylcyclohexanone,2r,5r-5-isopropenyl-2-methylcyclohexanone,2r,5r-2-methyl-5-prop-1-en-2-yl cyclohexanone,cyclohexanone, 2-methyl-5-1-methylethenyl-, 2r,5r PubChem CID: 22227 ChEBI: CHEBI:154 IUPAC Name: (2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one SMILES: CC1CCC(CC1=O)C(=C)C

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Specifications

PubChem CID	22227
CAS	5524-05-0
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:154
MDL Number	MFCD00001636
SMILES	CC1CCC(CC1=O)C(=C)C
Synonym	+-dihydrocarvone,d-dihydrocarvone,1r,4r-dihydrocarvone,e-dihydrocarvone,unii-vta43h364z,2r-trans-2-methyl-5-1-methylvinyl cyclohexan-1-one,2r,5r-2-methyl-5-isopropenylcyclohexanone,2r,5r-5-isopropenyl-2-methylcyclohexanone,2r,5r-2-methyl-5-prop-1-en-2-yl cyclohexanone,cyclohexanone, 2-methyl-5-1-methylethenyl-, 2r,5r
IUPAC Name	(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
InChI Key	AZOCECCLWFDTAP-RKDXNWHRSA-N
Molecular Formula	C₁₀H₁₆O

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l-Menthone, 85%

CAS: 14073-97-3 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00001634,MFCD00136033 InChI Key: NFLGAXVYCFJBMK-BDAKNGLRSA-N Synonym: --menthone,l-menthone,menthone,trans-menthone,p-menthone,neomenthone,menthone racemic,trans-p-menthan-3-one,2s,5r-2-isopropyl-5-methylcyclohexanone,l-menthan-3-one PubChem CID: 26447 ChEBI: CHEBI:15410 IUPAC Name: (2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one SMILES: CC(C)[C@@H]1CC[C@@H](C)CC1=O

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Specifications

PubChem CID	26447
CAS	14073-97-3
Molecular Weight (g/mol)	154.25
ChEBI	CHEBI:15410
MDL Number	MFCD00001634,MFCD00136033
SMILES	CC(C)[C@@H]1CC[C@@H](C)CC1=O
Synonym	--menthone,l-menthone,menthone,trans-menthone,p-menthone,neomenthone,menthone racemic,trans-p-menthan-3-one,2s,5r-2-isopropyl-5-methylcyclohexanone,l-menthan-3-one
IUPAC Name	(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
InChI Key	NFLGAXVYCFJBMK-BDAKNGLRSA-N
Molecular Formula	C10H18O

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D(+)-Camphor, 97%

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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