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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(1S)-(-)-beta-Pinene, 99%

CAS: 18172-67-3 Molecular Formula: C10H16 Molecular Weight (g/mol): 136.238 MDL Number: MFCD00001345 InChI Key: WTARULDDTDQWMU-IUCAKERBSA-N Synonym: --beta-pinene,--nopinene,1s,5s-6,6-dimethyl-2-methylenebicyclo 3.1.1 heptane,1s---beta-pinene,--b-pinene,--pin-2 10-ene,unii-afn153a7su,--?-pinene,1s-1-beta-pinene,afn153a7su PubChem CID: 440967 ChEBI: CHEBI:28359 IUPAC Name: (1S,5S)-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane SMILES: CC1(C2CCC(=C)C1C2)C

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PubChem CID	440967
CAS	18172-67-3
Molecular Weight (g/mol)	136.238
ChEBI	CHEBI:28359
MDL Number	MFCD00001345
SMILES	CC1(C2CCC(=C)C1C2)C
Synonym	--beta-pinene,--nopinene,1s,5s-6,6-dimethyl-2-methylenebicyclo 3.1.1 heptane,1s---beta-pinene,--b-pinene,--pin-2 10-ene,unii-afn153a7su,--?-pinene,1s-1-beta-pinene,afn153a7su
IUPAC Name	(1S,5S)-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptane
InChI Key	WTARULDDTDQWMU-IUCAKERBSA-N
Molecular Formula	C10H16

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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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(+)-alpha-Pinene, 98%

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 IUPAC Name: (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene 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
IUPAC Name	(1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
InChI Key	GRWFGVWFFZKLTI-RKDXNWHRSA-N
Molecular Formula	C10H16

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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

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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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3-Carene, 90%, stabilized

CAS: 13466-78-9 Molecular Formula: C₁₀H₁₆ Molecular Weight (g/mol): 136.23 MDL Number: MFCD00001315 InChI Key: BQOFWKZOCNGFEC-UHFFFAOYSA-N Synonym: 3-carene,carene,3,7,7-trimethylbicyclo 4.1.0 hept-3-ene,delta-3-carene,monoterpenes,alpha-carene,bicyclo 4.1.0 hept-3-ene, 3,7,7-trimethyl,+--delta3-carene,+ car-3-ene,+--3-carene PubChem CID: 26049 ChEBI: CHEBI:35661 IUPAC Name: 4,7,7-trimethylbicyclo[4.1.0]hept-3-ene SMILES: CC1=CCC2C(C1)C2(C)C

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PubChem CID	26049
CAS	13466-78-9
Molecular Weight (g/mol)	136.23
ChEBI	CHEBI:35661
MDL Number	MFCD00001315
SMILES	CC1=CCC2C(C1)C2(C)C
Synonym	3-carene,carene,3,7,7-trimethylbicyclo 4.1.0 hept-3-ene,delta-3-carene,monoterpenes,alpha-carene,bicyclo 4.1.0 hept-3-ene, 3,7,7-trimethyl,+--delta3-carene,+ car-3-ene,+--3-carene
IUPAC Name	4,7,7-trimethylbicyclo[4.1.0]hept-3-ene
InChI Key	BQOFWKZOCNGFEC-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₆

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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

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(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

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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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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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L(-)-Fenchone, 98+%

CAS: 7787-20-4 Molecular Formula: C₁₀H₁₆O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00151104 InChI Key: LHXDLQBQYFFVNW-GMSGAONNSA-N Synonym: l-fenchone,1r-fenchone,1r,4r-2,2,4-trimethylbicyclo 2.2.1 heptan-3-one,2r,5r-2,6,6-trimethyl-2,5-methanocyclohexane-1-one PubChem CID: 3034206 IUPAC Name: (1R,4R)-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	3034206
CAS	7787-20-4
Molecular Weight (g/mol)	152.24
MDL Number	MFCD00151104
SMILES	CC1(C2CCC(C2)(C1=O)C)C
Synonym	l-fenchone,1r-fenchone,1r,4r-2,2,4-trimethylbicyclo 2.2.1 heptan-3-one,2r,5r-2,6,6-trimethyl-2,5-methanocyclohexane-1-one
IUPAC Name	(1R,4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-one
InChI Key	LHXDLQBQYFFVNW-GMSGAONNSA-N
Molecular Formula	C₁₀H₁₆O

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4-Isopropylbenzaldehyde, 98%

CAS: 122-03-2 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00006953 InChI Key: WTWBUQJHJGUZCY-UHFFFAOYSA-N Synonym: 4-isopropylbenzaldehyde,cuminaldehyde,cuminic aldehyde,cumaldehyde,cuminal,p-cumic aldehyde,cumic aldehyde,cuminyl aldehyde,p-isopropylbenzaldehyde,benzaldehyde, 4-1-methylethyl PubChem CID: 326 ChEBI: CHEBI:28671 IUPAC Name: 4-propan-2-ylbenzaldehyde SMILES: CC(C)C1=CC=C(C=O)C=C1

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Specifications

PubChem CID	326
CAS	122-03-2
Molecular Weight (g/mol)	148.21
ChEBI	CHEBI:28671
MDL Number	MFCD00006953
SMILES	CC(C)C1=CC=C(C=O)C=C1
Synonym	4-isopropylbenzaldehyde,cuminaldehyde,cuminic aldehyde,cumaldehyde,cuminal,p-cumic aldehyde,cumic aldehyde,cuminyl aldehyde,p-isopropylbenzaldehyde,benzaldehyde, 4-1-methylethyl
IUPAC Name	4-propan-2-ylbenzaldehyde
InChI Key	WTWBUQJHJGUZCY-UHFFFAOYSA-N
Molecular Formula	C10H12O

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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): 156.269 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)	156.269
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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Linalool, 97%

CAS: 78-70-6 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00008906 InChI Key: CDOSHBSSFJOMGT-UHFFFAOYSA-N Synonym: linalool,linalol,3,7-dimethyl-1,6-octadien-3-ol,allo-ocimenol,beta-linalool,linalyl alcohol,1,6-octadien-3-ol, 3,7-dimethyl,+--linalool,p-linalool,linanool PubChem CID: 6549 ChEBI: CHEBI:17580 IUPAC Name: 3,7-dimethylocta-1,6-dien-3-ol SMILES: CC(=CCCC(C)(C=C)O)C

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Specifications

PubChem CID	6549
CAS	78-70-6
Molecular Weight (g/mol)	154.253
ChEBI	CHEBI:17580
MDL Number	MFCD00008906
SMILES	CC(=CCCC(C)(C=C)O)C
Synonym	linalool,linalol,3,7-dimethyl-1,6-octadien-3-ol,allo-ocimenol,beta-linalool,linalyl alcohol,1,6-octadien-3-ol, 3,7-dimethyl,+--linalool,p-linalool,linanool
IUPAC Name	3,7-dimethylocta-1,6-dien-3-ol
InChI Key	CDOSHBSSFJOMGT-UHFFFAOYSA-N
Molecular Formula	C10H18O

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(+/-)-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

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Specifications

PubChem CID	25208
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

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Citral, cis + trans, 95%

CAS: 5392-40-5 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.24 MDL Number: MFCD00006997 InChI Key: WTEVQBCEXWBHNA-JXMROGBWSA-N Synonym: citral,geranial,trans-citral,3,7-dimethylocta-2,6-dienal,geranialdehyde,e-citral,citral a,2e-3,7-dimethylocta-2,6-dienal,alpha-citral,lemsyn gb PubChem CID: 638011 ChEBI: CHEBI:16980 IUPAC Name: (2E)-3,7-dimethylocta-2,6-dienal SMILES: CC(C)=CCC\C(C)=C\C=O

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Specifications

PubChem CID	638011
CAS	5392-40-5
Molecular Weight (g/mol)	152.24
ChEBI	CHEBI:16980
MDL Number	MFCD00006997
SMILES	CC(C)=CCC\C(C)=C\C=O
Synonym	citral,geranial,trans-citral,3,7-dimethylocta-2,6-dienal,geranialdehyde,e-citral,citral a,2e-3,7-dimethylocta-2,6-dienal,alpha-citral,lemsyn gb
IUPAC Name	(2E)-3,7-dimethylocta-2,6-dienal
InChI Key	WTEVQBCEXWBHNA-JXMROGBWSA-N
Molecular Formula	C10H16O

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