Unsaturated hydrocarbons

Organic compounds made up entirely of hydrogen and carbon elements that contain both double and triple carbon - carbon bonds in their structures.

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TraceCERT™ β-Caryophyllene, 2000 μg/mL, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

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Bisabolene, mixture of isomers

CAS: 495-62-5 Molecular Formula: C15H24 Molecular Weight (g/mol): 204.357 MDL Number: MFCD00129080 InChI Key: XBGUIVFBMBVUEG-CCEZHUSRSA-N Synonym: e-gamma-bisabolene,unii-l8m7r52o3b,cyclohexene, 4-1,5-dimethyl-4-hexenylidene-1-methyl-, e,1e-bisabola-1 10 ,4,7 11-triene 4e-4-1,5-dimethylhex-4-en-1-ylidene-1-methylcyclohexene,gamma-bisabolene, e,gamma-bisabolene, 4e,cyclohexene, 4-1,5-dimethyl-4-hexenylidene-1-methyl-, 4e,.gamma.-bisabolene,e gamma-bisabolene,1-methyl-4-6-methylhept-5-en-2-ylidene cyclohex-1-ene PubChem CID: 3033866 ChEBI: CHEBI:49238 IUPAC Name: (4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene SMILES: CC1=CCC(=C(C)CCC=C(C)C)CC1

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Specifications

PubChem CID	3033866
CAS	495-62-5
Molecular Weight (g/mol)	204.357
ChEBI	CHEBI:49238
MDL Number	MFCD00129080
SMILES	CC1=CCC(=C(C)CCC=C(C)C)CC1
Synonym	e-gamma-bisabolene,unii-l8m7r52o3b,cyclohexene, 4-1,5-dimethyl-4-hexenylidene-1-methyl-, e,1e-bisabola-1 10 ,4,7 11-triene 4e-4-1,5-dimethylhex-4-en-1-ylidene-1-methylcyclohexene,gamma-bisabolene, e,gamma-bisabolene, 4e,cyclohexene, 4-1,5-dimethyl-4-hexenylidene-1-methyl-, 4e,.gamma.-bisabolene,e gamma-bisabolene,1-methyl-4-6-methylhept-5-en-2-ylidene cyclohex-1-ene
IUPAC Name	(4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene
InChI Key	XBGUIVFBMBVUEG-CCEZHUSRSA-N
Molecular Formula	C15H24

6-Phenyl-2-hexyne, 99%

CAS: 34298-75-4 Molecular Formula: C12H14 Molecular Weight (g/mol): 158.244 MDL Number: MFCD00026982 InChI Key: BYQGPSNMZZGRQP-UHFFFAOYSA-N Synonym: 6-phenyl-2-hexyne,hex-4-yn-1-ylbenzene,1-phenyl-4-hexyne,acmc-20alxr,methyl 3-phenylpropyl acetylene PubChem CID: 3251198 IUPAC Name: hex-4-ynylbenzene SMILES: CC#CCCCC1=CC=CC=C1

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Specifications

PubChem CID	3251198
CAS	34298-75-4
Molecular Weight (g/mol)	158.244
MDL Number	MFCD00026982
SMILES	CC#CCCCC1=CC=CC=C1
Synonym	6-phenyl-2-hexyne,hex-4-yn-1-ylbenzene,1-phenyl-4-hexyne,acmc-20alxr,methyl 3-phenylpropyl acetylene
IUPAC Name	hex-4-ynylbenzene
InChI Key	BYQGPSNMZZGRQP-UHFFFAOYSA-N
Molecular Formula	C12H14

1,4-Hexadiene, cis + trans, 99%

CAS: 592-45-0 Molecular Formula: C6H10 Molecular Weight (g/mol): 82.146 MDL Number: MFCD00009298 InChI Key: PRBHEGAFLDMLAL-GQCTYLIASA-N Synonym: 1,4-hexadiene,trans-1,4-hexadiene,1,4-hexadiene, 4e,1,4-hexadiene,c&t,allylpropenyl,1,4-hexadiene cis-trans,1,4-hexa-1,4-diene,1-allylpropene,1,4-hexadiene,cis-trans,1,4-trans-hexadiene PubChem CID: 5365552 IUPAC Name: (4E)-hexa-1,4-diene SMILES: CC=CCC=C

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Specifications

PubChem CID	5365552
CAS	592-45-0
Molecular Weight (g/mol)	82.146
MDL Number	MFCD00009298
SMILES	CC=CCC=C
Synonym	1,4-hexadiene,trans-1,4-hexadiene,1,4-hexadiene, 4e,1,4-hexadiene,c&t,allylpropenyl,1,4-hexadiene cis-trans,1,4-hexa-1,4-diene,1-allylpropene,1,4-hexadiene,cis-trans,1,4-trans-hexadiene
IUPAC Name	(4E)-hexa-1,4-diene
InChI Key	PRBHEGAFLDMLAL-GQCTYLIASA-N
Molecular Formula	C6H10

2,4-Dimethyl-1-pentene, 99%

CAS: 2213-32-3 Molecular Formula: C7H14 Molecular Weight (g/mol): 98.189 MDL Number: MFCD00039854 InChI Key: LXQPBCHJNIOMQU-UHFFFAOYSA-N Synonym: 2,4-dimethyl-1-pentene,1-pentene, 2,4-dimethyl,acmc-1ch0z,pentene, 2,4-dimethyl,ch3 2chch2c ch3 =ch2,1-pentene, 2,4-dimethyl-8ci 9ci PubChem CID: 16657 IUPAC Name: 2,4-dimethylpent-1-ene SMILES: CC(C)CC(=C)C

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Specifications

PubChem CID	16657
CAS	2213-32-3
Molecular Weight (g/mol)	98.189
MDL Number	MFCD00039854
SMILES	CC(C)CC(=C)C
Synonym	2,4-dimethyl-1-pentene,1-pentene, 2,4-dimethyl,acmc-1ch0z,pentene, 2,4-dimethyl,ch3 2chch2c ch3 =ch2,1-pentene, 2,4-dimethyl-8ci 9ci
IUPAC Name	2,4-dimethylpent-1-ene
InChI Key	LXQPBCHJNIOMQU-UHFFFAOYSA-N
Molecular Formula	C7H14

Allylcyclopentane, 97%

CAS: 3524-75-2 Molecular Formula: C8H14 Molecular Weight (g/mol): 110.2 MDL Number: MFCD00001390 InChI Key: NHIDGVQVYHCGEK-UHFFFAOYSA-N Synonym: allylcyclopentane,3-cyclopentylpropene,cyclopentane, 2-propenyl,cyclopentane, allyl,3-cyclopentyl-1-propene,allyl cyclopentane,2-propenylcyclopentane,1-propene, 3-cyclopentyl,3-cyclopentylprop-1-ene PubChem CID: 77059 IUPAC Name: prop-2-enylcyclopentane SMILES: C=CCC1CCCC1

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Specifications

PubChem CID	77059
CAS	3524-75-2
Molecular Weight (g/mol)	110.2
MDL Number	MFCD00001390
SMILES	C=CCC1CCCC1
Synonym	allylcyclopentane,3-cyclopentylpropene,cyclopentane, 2-propenyl,cyclopentane, allyl,3-cyclopentyl-1-propene,allyl cyclopentane,2-propenylcyclopentane,1-propene, 3-cyclopentyl,3-cyclopentylprop-1-ene
IUPAC Name	prop-2-enylcyclopentane
InChI Key	NHIDGVQVYHCGEK-UHFFFAOYSA-N
Molecular Formula	C8H14

1-Hexene, 98%

CAS: 592-41-6 Molecular Formula: C6H12 Molecular Weight (g/mol): 84.162 MDL Number: MFCD00009505 InChI Key: LIKMAJRDDDTEIG-UHFFFAOYSA-N Synonym: 1-hexene,hexene,butylethylene,hexylene,hexene-1,1-n-hexene,butyl ethylene,dialene 6,n-hexene,unii-b38zz8c206 PubChem CID: 11597 ChEBI: CHEBI:24579 IUPAC Name: hex-1-ene SMILES: CCCCC=C

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Specifications

PubChem CID	11597
CAS	592-41-6
Molecular Weight (g/mol)	84.162
ChEBI	CHEBI:24579
MDL Number	MFCD00009505
SMILES	CCCCC=C
Synonym	1-hexene,hexene,butylethylene,hexylene,hexene-1,1-n-hexene,butyl ethylene,dialene 6,n-hexene,unii-b38zz8c206
IUPAC Name	hex-1-ene
InChI Key	LIKMAJRDDDTEIG-UHFFFAOYSA-N
Molecular Formula	C6H12

1-Methyl-1,4-cyclohexadiene, 97%, stab. with 0.01% BHT

CAS: 4313-57-9 Molecular Formula: C7H10 Molecular Weight (g/mol): 94.16 MDL Number: MFCD00001538 InChI Key: QDXQAOGNBCOEQX-UHFFFAOYSA-N Synonym: 1-methyl-1,4-cyclohexadiene,2,5-dihydrotoluene,1,4-cyclohexadiene, 1-methyl,1, 1-methyl,acmc-1ast4,1-methyl1,4-cyclohexadiene,1-methylcyclohexane-1,4-diene,1-methyl-1,4-cyclohexadiene, stabilized PubChem CID: 78006 IUPAC Name: 1-methylcyclohexa-1,4-diene SMILES: CC1=CCC=CC1

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Specifications

PubChem CID	78006
CAS	4313-57-9
Molecular Weight (g/mol)	94.16
MDL Number	MFCD00001538
SMILES	CC1=CCC=CC1
Synonym	1-methyl-1,4-cyclohexadiene,2,5-dihydrotoluene,1,4-cyclohexadiene, 1-methyl,1, 1-methyl,acmc-1ast4,1-methyl1,4-cyclohexadiene,1-methylcyclohexane-1,4-diene,1-methyl-1,4-cyclohexadiene, stabilized
IUPAC Name	1-methylcyclohexa-1,4-diene
InChI Key	QDXQAOGNBCOEQX-UHFFFAOYSA-N
Molecular Formula	C7H10

3-Ethyl-2-methyl-1-pentene, 99%, Thermo Scientific Chemicals

CAS: 19780-66-6 Molecular Formula: C8H16 Molecular Weight (g/mol): 112.216 MDL Number: MFCD00048664 InChI Key: HPHHYSWOBXEIRG-UHFFFAOYSA-N Synonym: 3-ethyl-2-methyl-1-pentene,1-pentene, 3-ethyl-2-methyl,2-methyl-3-ethyl-1-pentene,acmc-1bqij,1-pentene,3-ethyl-2-methyl PubChem CID: 140591 IUPAC Name: 3-ethyl-2-methylpent-1-ene SMILES: CCC(CC)C(=C)C

Pricing and Availability
Specifications

PubChem CID	140591
CAS	19780-66-6
Molecular Weight (g/mol)	112.216
MDL Number	MFCD00048664
SMILES	CCC(CC)C(=C)C
Synonym	3-ethyl-2-methyl-1-pentene,1-pentene, 3-ethyl-2-methyl,2-methyl-3-ethyl-1-pentene,acmc-1bqij,1-pentene,3-ethyl-2-methyl
IUPAC Name	3-ethyl-2-methylpent-1-ene
InChI Key	HPHHYSWOBXEIRG-UHFFFAOYSA-N
Molecular Formula	C8H16

2,4,4-Trimethyl-2-pentene, 97%

CAS: 107-40-4 Molecular Formula: C8H16 Molecular Weight (g/mol): 112.216 MDL Number: MFCD00008902 InChI Key: LAAVYEUJEMRIGF-UHFFFAOYSA-N Synonym: 2,4,4-trimethyl-2-pentene,2-pentene, 2,4,4-trimethyl,2,2,4-trimethyl-3-pentene,2,4,4-trimethylpentene-2,unii-548r0du21i,beta-diisobutylene,propene, 1-tert-butyl-2-methyl,acmc-1cujo,dsstox_cid_6766,dsstox_rid_78208 PubChem CID: 7869 IUPAC Name: 2,4,4-trimethylpent-2-ene SMILES: CC(=CC(C)(C)C)C

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Specifications

PubChem CID	7869
CAS	107-40-4
Molecular Weight (g/mol)	112.216
MDL Number	MFCD00008902
SMILES	CC(=CC(C)(C)C)C
Synonym	2,4,4-trimethyl-2-pentene,2-pentene, 2,4,4-trimethyl,2,2,4-trimethyl-3-pentene,2,4,4-trimethylpentene-2,unii-548r0du21i,beta-diisobutylene,propene, 1-tert-butyl-2-methyl,acmc-1cujo,dsstox_cid_6766,dsstox_rid_78208
IUPAC Name	2,4,4-trimethylpent-2-ene
InChI Key	LAAVYEUJEMRIGF-UHFFFAOYSA-N
Molecular Formula	C8H16

1-Phenyl-1-pentyne, 98%

CAS: 4250-81-1 Molecular Formula: C11H12 Molecular Weight (g/mol): 144.22 MDL Number: MFCD00039959 InChI Key: DEGIOKWPYFOHGH-UHFFFAOYSA-N Synonym: 1-phenyl-1-pentyne,pent-1-yn-1-ylbenzene,1-pentynylbenzene,benzene, 1-pentynyl,1-pentynylbenzene #,acmc-1aso7,1-phenyl-2-propylacetylene PubChem CID: 77923 IUPAC Name: pent-1-ynylbenzene SMILES: CCCC#CC1=CC=CC=C1

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Specifications

PubChem CID	77923
CAS	4250-81-1
Molecular Weight (g/mol)	144.22
MDL Number	MFCD00039959
SMILES	CCCC#CC1=CC=CC=C1
Synonym	1-phenyl-1-pentyne,pent-1-yn-1-ylbenzene,1-pentynylbenzene,benzene, 1-pentynyl,1-pentynylbenzene #,acmc-1aso7,1-phenyl-2-propylacetylene
IUPAC Name	pent-1-ynylbenzene
InChI Key	DEGIOKWPYFOHGH-UHFFFAOYSA-N
Molecular Formula	C11H12

cis-Stilbene, 97%

CAS: 645-49-8 Molecular Formula: C14H12 Molecular Weight (g/mol): 180.25 MDL Number: MFCD00004788 InChI Key: PJANXHGTPQOBST-QXMHVHEDSA-N Synonym: cis-stilbene,z-stilbene,z-1,2-diphenylethene,cis-1,2-diphenylethylene,isostilbene,cis-diphenylethene,stilbene, z,z-2-phenylethenyl benzene,benzene, 1,1'-1,2-ethenediyl bis-, z,z-1,2-diphenylethylene PubChem CID: 5356785 ChEBI: CHEBI:36008 IUPAC Name: (Z)-stilbene SMILES: C1=CC=C(C=C1)C=CC2=CC=CC=C2

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Specifications

PubChem CID	5356785
CAS	645-49-8
Molecular Weight (g/mol)	180.25
ChEBI	CHEBI:36008
MDL Number	MFCD00004788
SMILES	C1=CC=C(C=C1)C=CC2=CC=CC=C2
Synonym	cis-stilbene,z-stilbene,z-1,2-diphenylethene,cis-1,2-diphenylethylene,isostilbene,cis-diphenylethene,stilbene, z,z-2-phenylethenyl benzene,benzene, 1,1'-1,2-ethenediyl bis-, z,z-1,2-diphenylethylene
IUPAC Name	(Z)-stilbene
InChI Key	PJANXHGTPQOBST-QXMHVHEDSA-N
Molecular Formula	C14H12

Phenylacetylene, 98+%

CAS: 536-74-3 Molecular Formula: C8H6 Molecular Weight (g/mol): 102.136 MDL Number: MFCD00008570 InChI Key: UEXCJVNBTNXOEH-UHFFFAOYSA-N Synonym: phenylacetylene,phenylethyne,benzene, ethynyl,1-phenylethyne,phenylacetylide,phenyl acetylene,ethyne, phenyl,acetylene, phenyl,ethynyl-benzene,phenylacethylene PubChem CID: 10821 IUPAC Name: ethynylbenzene SMILES: C#CC1=CC=CC=C1

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Specifications

PubChem CID	10821
CAS	536-74-3
Molecular Weight (g/mol)	102.136
MDL Number	MFCD00008570
SMILES	C#CC1=CC=CC=C1
Synonym	phenylacetylene,phenylethyne,benzene, ethynyl,1-phenylethyne,phenylacetylide,phenyl acetylene,ethyne, phenyl,acetylene, phenyl,ethynyl-benzene,phenylacethylene
IUPAC Name	ethynylbenzene
InChI Key	UEXCJVNBTNXOEH-UHFFFAOYSA-N
Molecular Formula	C8H6

2-Vinylnaphthalene, 97%

CAS: 827-54-3 Molecular Formula: C12H10 Molecular Weight (g/mol): 154.21 MDL Number: MFCD00004125 InChI Key: KXYAVSFOJVUIHT-UHFFFAOYSA-N Synonym: 2-vinylnaphthalene,naphthalene, 2-ethenyl,2-vinyl-naphthalene,beta-vinylnaphthalene,poly 2-vinylnaphthalene,unii-hzd8li91n1,hzd8li91n1,polyvinylnaphthalene,2-vinyl naphthalene,2-ethenyinaphthalene PubChem CID: 13230 ChEBI: CHEBI:51325 IUPAC Name: 2-ethenylnaphthalene SMILES: C=CC1=CC=C2C=CC=CC2=C1

Pricing and Availability
Specifications

PubChem CID	13230
CAS	827-54-3
Molecular Weight (g/mol)	154.21
ChEBI	CHEBI:51325
MDL Number	MFCD00004125
SMILES	C=CC1=CC=C2C=CC=CC2=C1
Synonym	2-vinylnaphthalene,naphthalene, 2-ethenyl,2-vinyl-naphthalene,beta-vinylnaphthalene,poly 2-vinylnaphthalene,unii-hzd8li91n1,hzd8li91n1,polyvinylnaphthalene,2-vinyl naphthalene,2-ethenyinaphthalene
IUPAC Name	2-ethenylnaphthalene
InChI Key	KXYAVSFOJVUIHT-UHFFFAOYSA-N
Molecular Formula	C12H10

4-Ethylphenylacetylene, 99%, Thermo Scientific Chemicals

CAS: 40307-11-7 Molecular Formula: C10H10 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00173887 InChI Key: ZNTJVJSUNSUMPP-UHFFFAOYSA-N Synonym: 4-ethylphenylacetylene,1-ethyl-4-eth-1-ynylbenzene,benzene, 1-ethyl-4-ethynyl,1-ethyl-4-ethynyl-benzene,ethyl-4-ethynylbenzene,pubchem10925,acmc-209jcv,4-ethyl-1-ethynylbenzene,1-ethynyl-4-ethylbenzene,p-ethylphenylacetylene PubChem CID: 142425 IUPAC Name: 1-ethyl-4-ethynylbenzene SMILES: CCC1=CC=C(C=C1)C#C

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Specifications

PubChem CID	142425
CAS	40307-11-7
Molecular Weight (g/mol)	130.19
MDL Number	MFCD00173887
SMILES	CCC1=CC=C(C=C1)C#C
Synonym	4-ethylphenylacetylene,1-ethyl-4-eth-1-ynylbenzene,benzene, 1-ethyl-4-ethynyl,1-ethyl-4-ethynyl-benzene,ethyl-4-ethynylbenzene,pubchem10925,acmc-209jcv,4-ethyl-1-ethynylbenzene,1-ethynyl-4-ethylbenzene,p-ethylphenylacetylene
IUPAC Name	1-ethyl-4-ethynylbenzene
InChI Key	ZNTJVJSUNSUMPP-UHFFFAOYSA-N
Molecular Formula	C10H10

Unsaturated hydrocarbons

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