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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Specifications

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

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(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

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Specifications

PubChem CID	5771688
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

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D(+)-Carvone, 96%, natural

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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Specifications

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

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2,4,6-Triisopropylbenzoyl chloride, 98+%

CAS: 57199-00-5 Molecular Formula: C16H23ClO Molecular Weight (g/mol): 266.809 MDL Number: MFCD00015030 InChI Key: OSKNTKJPGKHDHV-UHFFFAOYSA-N Synonym: 2,4,6-triisopropylbenzoyl chloride,benzoyl chloride, 2,4,6-tris 1-methylethyl,acmc-20aoev,2,4,6-triiso-propylbenzoyl chloride,2,4,6-tri propan-2-yl benzoyl chloride,benzoyl chloride,2,4,6-tris 1-methylethyl,2,4,6-tris 1-methylethyl benzoic acid chloride PubChem CID: 92697 IUPAC Name: 2,4,6-tri(propan-2-yl)benzoyl chloride SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)Cl)C(C)C

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Specifications

PubChem CID	92697
CAS	57199-00-5
Molecular Weight (g/mol)	266.809
MDL Number	MFCD00015030
SMILES	CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)Cl)C(C)C
Synonym	2,4,6-triisopropylbenzoyl chloride,benzoyl chloride, 2,4,6-tris 1-methylethyl,acmc-20aoev,2,4,6-triiso-propylbenzoyl chloride,2,4,6-tri propan-2-yl benzoyl chloride,benzoyl chloride,2,4,6-tris 1-methylethyl,2,4,6-tris 1-methylethyl benzoic acid chloride
IUPAC Name	2,4,6-tri(propan-2-yl)benzoyl chloride
InChI Key	OSKNTKJPGKHDHV-UHFFFAOYSA-N
Molecular Formula	C16H23ClO

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(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

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Specifications

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

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

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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

Tris(trifluoromethylhydroxymethylene-d-camphorato)europium(III)

CAS: 34830-11-0 Molecular Formula: C36H45EuF9O6 Molecular Weight (g/mol): 896.7 MDL Number: MFCD00074803 InChI Key: YXJPWWGLCOPUGI-UFRADDTFSA-N Synonym: eu tfc 3,eu facam 3,europium tris 3-trifluoromethylhydroxymethylene---camphorate,europium tris 3-trifluoromethylhydroxymethylene-+-camphorate,tris 3-trifluoromethylhydroxymethylene-d-camphorato europium iii,tris 3-trifluoroacetyl-d-camphorato europium iii,europium iii tris 3-trifluoromethylhydroxymethylene-d-camphorate PubChem CID: 71310195 IUPAC Name: europium;(2E)-4,7,7-trimethyl-2-(2,2,2-trifluoro-1-hydroxyethylidene)bicyclo[2.2.1]heptan-3-one SMILES: CC1(C2CCC1(C(=O)C2=C(C(F)(F)F)O)C)C.CC1(C2CCC1(C(=O)C2=C(C(F)(F)F)O)C)C.CC1(C2CCC1(C(=O)C2=C(C(F)(F)F)O)C)C.[Eu]

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Specifications

PubChem CID	71310195
CAS	34830-11-0
Molecular Weight (g/mol)	896.7
MDL Number	MFCD00074803
SMILES	CC1(C2CCC1(C(=O)C2=C(C(F)(F)F)O)C)C.CC1(C2CCC1(C(=O)C2=C(C(F)(F)F)O)C)C.CC1(C2CCC1(C(=O)C2=C(C(F)(F)F)O)C)C.[Eu]
Synonym	eu tfc 3,eu facam 3,europium tris 3-trifluoromethylhydroxymethylene---camphorate,europium tris 3-trifluoromethylhydroxymethylene-+-camphorate,tris 3-trifluoromethylhydroxymethylene-d-camphorato europium iii,tris 3-trifluoroacetyl-d-camphorato europium iii,europium iii tris 3-trifluoromethylhydroxymethylene-d-camphorate
IUPAC Name	europium;(2E)-4,7,7-trimethyl-2-(2,2,2-trifluoro-1-hydroxyethylidene)bicyclo[2.2.1]heptan-3-one
InChI Key	YXJPWWGLCOPUGI-UFRADDTFSA-N
Molecular Formula	C36H45EuF9O6

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Myrcene, 90%, tech., stabilized

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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Specifications

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

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Nerol, 97%

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

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Specifications

PubChem CID	643820
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

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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

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Specifications

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

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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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Geraniol, 97%

CAS: 106-24-1 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 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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Specifications

PubChem CID	637566
CAS	106-24-1
Molecular Weight (g/mol)	154.253
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

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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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L(-)-Borneol, 97%

CAS: 464-45-9 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00003759,MFCD00066426,MFCD00066427 InChI Key: DTGKSKDOIYIVQL-NQMVMOMDSA-N Synonym: --borneol,borneol,l-borneol,1s,2r,4s-1,7,7-trimethylbicyclo 2.2.1 heptan-2-ol,linderol,1s-endo---borneol,borneo camphor,bornyl alcohol,sumatra camphor,dl-borneol PubChem CID: 1201518 ChEBI: CHEBI:15394 IUPAC Name: (1S,3R,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol SMILES: CC1(C)[C@@H]2CC[C@]1(C)[C@H](O)C2

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Specifications

PubChem CID	1201518
CAS	464-45-9
Molecular Weight (g/mol)	154.25
ChEBI	CHEBI:15394
MDL Number	MFCD00003759,MFCD00066426,MFCD00066427
SMILES	CC1(C)[C@@H]2CC[C@]1(C)[C@H](O)C2
Synonym	--borneol,borneol,l-borneol,1s,2r,4s-1,7,7-trimethylbicyclo 2.2.1 heptan-2-ol,linderol,1s-endo---borneol,borneo camphor,bornyl alcohol,sumatra camphor,dl-borneol
IUPAC Name	(1S,3R,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
InChI Key	DTGKSKDOIYIVQL-NQMVMOMDSA-N
Molecular Formula	C10H18O

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(1R)-(+)-alpha-Pinene, 98%, 80% ee

CAS: 7785-70-8 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.24 MDL Number: MFCD00001346 InChI Key: GRWFGVWFFZKLTI-RKDXNWHRSA-N Synonym: +-alpha-pinene,1r,5r-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1r-+-alpha-pinene,1r,5r-alpha-pinene,unii-h6cm4twh1w,+-pinene,h6cm4twh1w,1r,5r-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1r,5r,+-pin-2 3-ene PubChem CID: 82227 ChEBI: CHEBI:28261 SMILES: CC1=CC[C@@H]2C[C@H]1C2(C)C

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Specifications

PubChem CID	82227
CAS	7785-70-8
Molecular Weight (g/mol)	136.24
ChEBI	CHEBI:28261
MDL Number	MFCD00001346
SMILES	CC1=CC[C@@H]2C[C@H]1C2(C)C
Synonym	+-alpha-pinene,1r,5r-2,6,6-trimethylbicyclo 3.1.1 hept-2-ene,1r-+-alpha-pinene,1r,5r-alpha-pinene,unii-h6cm4twh1w,+-pinene,h6cm4twh1w,1r,5r-2-pinene,bicyclo 3.1.1 hept-2-ene, 2,6,6-trimethyl-, 1r,5r,+-pin-2 3-ene
InChI Key	GRWFGVWFFZKLTI-RKDXNWHRSA-N
Molecular Formula	C10H16

Monoterpenoids

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