Dipentene - ≥95% , CAS No.138-86-3

CAS: 138-86-3 Cat. No.: D106755 Formula: C₁₀H₁₆ Molecular Weight: 136.23 Beilstein Registry Number: 3587825 EC Number: 205-341-0

GRADE & PURITY ≥95%

Synonyms

(+-)-alpha-Limonene|Goldflush II|1,8(9)-p-Menthadiene|p-Mentha-1,8-diene, dl-|1-methyl-4-prop-1-en-2-ylcyclohexene|1-METHYL-4-PROP-1-EN-2-YL-CYCLOHEXENE|Dipentene 200|DL-4-Isopropenyl-1-methylcyclohexene|(.+-.)-Limonene|(+-)-LIMONENE|Acintene DP|Achilles dipentene|Mentha-1,8-diene, DL|1,8-p-Menthadiene|4-(1-methylethenyl)-1-methyl-cyclohexene|d,l-Limonene|LIMONENE [MI]|PC 560|alpha-Limonene|Limonen|Terpodiene|(.+/-.)-Dipentene|.alpha.-Limonene|LIMONENE|Di-p-mentha-1,8-diene|4-Isopropenyl-1-methylcyclohexene|4-isopropenyl-1-methyl-cyclohexene|Kautschin|1-Methyl-4-(1-methylethenyl)cyclohexene|Flavor orange|Limonene, dl-|(+-)-(RS)-limonene|DIPENTEN [WHO-DD]|DL-p-mentha-1,8-diene|Terpenes and Terpenoids, limonene fraction|TERPIN MONOHYDRATE IMPURITY C [EP IMPURITY]|Nesol/from Table/|Ciene|DIPENTENE (+-)|MENTHA-1,8-DIENE (DL)|Orange x|delta-1,8-Terpodiene|LIMONENE [HSDB]|4-mentha-1,8-diene|limonene, (+-)-|Methyl-4-isopropenylcyclohexene|(+/-)-Limonene|d(R)-4-Isopropenyl-1-methylcyclohexene|4 Mentha 1,8 diene|p-Mentha-1,8-diene|Cajeputene|Eulimen|p-Mentha-1,8-diene, (+-)-|Acintene DP dipentene|Nesol|1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene|Dipentene, crude|p-Mentha-1,8(9)-diene|DL-Limonene|Dipentene|Inactive limonene|p-Menthane/from Table/|Unitene|(+-)-Dipentene|Cinene|Mentha-1,8-diene|Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (.+/-.)-|Dipanol|Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R)-|(+-)-Linonene|4-Isopropenyl-1-methyl-1-cyclohexene|Cyclohexene, (.+-.)-|p-Mentha-1, dl-|.delta.-1,8-Terpodiene|Cyclil decene|(.+-.)-Dipentene|1-Methyl-4-isopropenyl-1-cyclohexene|1-Methyl-4-isopropenylcyclohexene|1-Methyl-p-isopropenyl-1-cyclohexene|Cinen|(.+/-.)-Limonene|(+/-)-1-METHYL-4-(1-METHYLETHENYL)CYCLOHEXENE|(1)-1-Methyl-4-(1-methylvinyl)cyclohexene|Cajeputen|Cyclohexene, 1-methyl-4-(1-methylethenyl)-|Methyl-4-(1-methylethenyl)cyclohexene|TERPIN MONOHYDRATE IMPURITY C (EP IMPURITY)

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

(+-)-alpha-Limonene | Goldflush II | 1,8(9)-p-Menthadiene | p-Mentha-1,8-diene, dl- | 1-methyl-4-prop-1-en-2-ylcyclohexene | 1-METHYL-4-PROP-1-EN-2-YL-CYCLOHEXENE | Dipentene 200 | DL-4-Isopropenyl-1-methylcyclohexene | (.+-.)-Limonene | (+-)-LIMONENE | Acintene DP | Achilles dipentene | Mentha-1,8-diene, DL | 1,8-p-Menthadiene | 4-(1-met Show more

Specifications & Purity

≥95%

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

Pubchem Sid

488182753

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182753

Canonical Smiles

CC1=CCC(CC1)C(=C)C

IUPAC Name

1-methyl-4-prop-1-en-2-ylcyclohexene

InChIKey

XMGQYMWWDOXHJM-UHFFFAOYSA-N

INCHI

1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3

Isomeric SMILES

CC1=CCC(CC1)C(=C)C

WGK Germany

2

RTECS

OS8100000

UN Number

2052

Packing Group

III

Molecular Weight

136.23

Beilstein

3587825

Reaxy-Rn

774123

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774123&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Menthane monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Branched unsaturated hydrocarbons Cycloalkenes Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Branched unsaturated hydrocarbon - Cycloalkene - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
• External Descriptors: a limonene

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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A498 (42825 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DLD-1 (17511 Activities)

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DMS-273 (14108 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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RXF 631 (11415 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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SNB-78 (14240 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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XF498 (12972 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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EKVX (44102 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HOP-18 (11577 Activities)

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HOP-92 (41141 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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IGROV-1 (47897 Activities)

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KM-20L2 (14967 Activities)

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LOX IMVI (44321 Activities)

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Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ether (miscible) and ethanol (miscible). Insoluble in water.
• Sensitivity: Air sensitive
• Refractive Index: 1.472-1.485
• Specific Rotation[α]: -1.0 to +1.0 deg(neat)
• Flash Point(°F): 49.46℉
• Flash Point(°C): 9.7℃
• Boil Point(°C): 178°C
• Melt Point(°C): -97°C
• Molecular Weight: 136.230 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 136.125 Da
• Monoisotopic Mass: 136.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 163.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 138-86-3, the molecular formula is C10H16, and the molecular weight is 136.23 g/mol. InChIKey XMGQYMWWDOXHJM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.