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.

1 – 15 of 203 results

Citronellol, 95%, Thermo Scientific Chemicals

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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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

D(+)-Carvone, 98%, synthetic, Thermo Scientific Chemicals

CAS: 2244-16-8 Molecular Formula: C₁₀H₁₄O Molecular Weight (g/mol): 150.22 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

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PubChem CID	16724
CAS	2244-16-8
Molecular Weight (g/mol)	150.22
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

α-Terpineol, 97+%, Thermo Scientific Chemicals

CAS: 98-55-5 Molecular Formula: C₁₀H₁₈O Molecular Weight (g/mol): 154.25 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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PubChem CID	17100
CAS	98-55-5
Molecular Weight (g/mol)	154.25
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

(1S)-(-)-α-Pinene, 98%, Thermo Scientific Chemicals

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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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

α-Pinene, 97%, stabilized with α-Tocopherol, Thermo Scientific Chemicals

CAS: 80-56-8 Molecular Formula: C₁₀H₁₆ Molecular Weight (g/mol): 136.24 MDL Number: MFCD00001339 InChI Key: GRWFGVWFFZKLTI-UHFFFAOYSA-N Synonym: alpha-pinene,2-pinene,.alpha.-pinene,acintene a,pinene isomer,2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,pinene, alpha,pin-2 3-ene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl,+-a-pinene PubChem CID: 6654 ChEBI: CHEBI:36740 IUPAC Name: 4,6,6-trimethylbicyclo[3.1.1]hept-3-ene SMILES: CC1=CCC2CC1C2(C)C

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PubChem CID	6654
CAS	80-56-8
Molecular Weight (g/mol)	136.24
ChEBI	CHEBI:36740
MDL Number	MFCD00001339
SMILES	CC1=CCC2CC1C2(C)C
Synonym	alpha-pinene,2-pinene,.alpha.-pinene,acintene a,pinene isomer,2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,pinene, alpha,pin-2 3-ene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl,+-a-pinene
IUPAC Name	4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
InChI Key	GRWFGVWFFZKLTI-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₆

(R)-(-)-Carvone, 98%, Thermo Scientific Chemicals

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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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

(S)-verbenone, Thermo Scientific™

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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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

Geranic acid, 98% (sum of isomers), Thermo Scientific Chemicals

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

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PubChem CID	5275520
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

Thymol, 99%, Thermo Scientific Chemicals

CAS: 89-83-8 Molecular Formula: C₁₀H₁₄O Molecular Weight (g/mol): 150.22 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

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PubChem CID	6989
CAS	89-83-8
Molecular Weight (g/mol)	150.22
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

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

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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

Geraniol, 99%, Thermo Scientific Chemicals

CAS: 106-24-1 Molecular Formula: C₁₀H₁₈O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00002917 InChI Key: GLZPCOQZEFWAFX-JXMROGBWSA-N Synonym: geraniol,lemonol,geranyl alcohol,trans-geraniol,e-geraniol,e-nerol,trans-3,7-dimethyl-2,6-octadien-1-ol,e-3,7-dimethylocta-2,6-dien-1-ol,2e-3,7-dimethylocta-2,6-dien-1-ol,geraniol extra PubChem CID: 637566 ChEBI: CHEBI:17447 IUPAC Name: (2E)-3,7-dimethylocta-2,6-dien-1-ol SMILES: CC(=CCCC(=CCO)C)C

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PubChem CID	637566
CAS	106-24-1
Molecular Weight (g/mol)	154.25
ChEBI	CHEBI:17447
MDL Number	MFCD00002917
SMILES	CC(=CCCC(=CCO)C)C
Synonym	geraniol,lemonol,geranyl alcohol,trans-geraniol,e-geraniol,e-nerol,trans-3,7-dimethyl-2,6-octadien-1-ol,e-3,7-dimethylocta-2,6-dien-1-ol,2e-3,7-dimethylocta-2,6-dien-1-ol,geraniol extra
IUPAC Name	(2E)-3,7-dimethylocta-2,6-dien-1-ol
InChI Key	GLZPCOQZEFWAFX-JXMROGBWSA-N
Molecular Formula	C₁₀H₁₈O

(R)-(+)-Limonene, 96%, Thermo Scientific Chemicals

CAS: 5989-27-5 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00062991 InChI Key: XMGQYMWWDOXHJM-JTQLQIEISA-N Synonym: d-limonene,+-limonene,r-+-limonene,+-4r-limonene,+-carvene,+-dipentene,citrene,+-p-mentha-1,8-diene,4r-limonene,d-+-limonene PubChem CID: 440917 ChEBI: CHEBI:15382 IUPAC Name: (4R)-1-methyl-4-prop-1-en-2-ylcyclohexene SMILES: CC(=C)[C@@H]1CCC(C)=CC1

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PubChem CID	440917
CAS	5989-27-5
Molecular Weight (g/mol)	136.24
ChEBI	CHEBI:15382
MDL Number	MFCD00062991
SMILES	CC(=C)[C@@H]1CCC(C)=CC1
Synonym	d-limonene,+-limonene,r-+-limonene,+-4r-limonene,+-carvene,+-dipentene,citrene,+-p-mentha-1,8-diene,4r-limonene,d-+-limonene
IUPAC Name	(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
InChI Key	XMGQYMWWDOXHJM-JTQLQIEISA-N
Molecular Formula	C10H16

L-Menthol, 99%, Thermo Scientific Chemicals

CAS: 2216-51-5 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD00062979 InChI Key: NOOLISFMXDJSKH-KXUCPTDWSA-N Synonym: l-menthol,--menthol,levomenthol,menthomenthol,l---menthol,hexahydrothymol,menthacamphor,peppermint camphor,1r,2s,5r-2-isopropyl-5-methylcyclohexanol,u.s.p. menthol PubChem CID: 16666 ChEBI: CHEBI:15409 IUPAC Name: (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol SMILES: CC1CCC(C(C1)O)C(C)C

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PubChem CID	16666
CAS	2216-51-5
Molecular Weight (g/mol)	156.269
ChEBI	CHEBI:15409
MDL Number	MFCD00062979
SMILES	CC1CCC(C(C1)O)C(C)C
Synonym	l-menthol,--menthol,levomenthol,menthomenthol,l---menthol,hexahydrothymol,menthacamphor,peppermint camphor,1r,2s,5r-2-isopropyl-5-methylcyclohexanol,u.s.p. menthol
IUPAC Name	(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
InChI Key	NOOLISFMXDJSKH-KXUCPTDWSA-N
Molecular Formula	C10H20O

Myrcene, 90%, tech., stabilized, Thermo Scientific Chemicals

CAS: 123-35-3 Molecular Formula: C₁₀H₁₆ Molecular Weight (g/mol): 136.24 InChI Key: UAHWPYUMFXYFJY-UHFFFAOYSA-N Synonym: myrcene,beta-myrcene,7-methyl-3-methyleneocta-1,6-diene,7-methyl-3-methylene-1,6-octadiene,1,6-octadiene, 7-methyl-3-methylene,beta-geraniolene,.beta.-myrcene,2-methyl-6-methylene-2,7-octadiene,3-methylene-7-methyl-1,6-octadiene,myrcene natural PubChem CID: 31253 ChEBI: CHEBI:17221 IUPAC Name: 7-methyl-3-methylideneocta-1,6-diene SMILES: CC(=CCCC(=C)C=C)C

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PubChem CID	31253
CAS	123-35-3
Molecular Weight (g/mol)	136.24
ChEBI	CHEBI:17221
SMILES	CC(=CCCC(=C)C=C)C
Synonym	myrcene,beta-myrcene,7-methyl-3-methyleneocta-1,6-diene,7-methyl-3-methylene-1,6-octadiene,1,6-octadiene, 7-methyl-3-methylene,beta-geraniolene,.beta.-myrcene,2-methyl-6-methylene-2,7-octadiene,3-methylene-7-methyl-1,6-octadiene,myrcene natural
IUPAC Name	7-methyl-3-methylideneocta-1,6-diene
InChI Key	UAHWPYUMFXYFJY-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₆

Pulegone, 92%, pract., Thermo Scientific Chemicals

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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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

Monoterpenoids

Monoterpenoids

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