(1R)-(+)-α-Pinene - ≥98% , CAS No.7785-70-8

CAS: 7785-70-8 Cat. No.: P397755 분자식: C₁₀H₁₆ 분자량: 136.24 Beilstein Registry Number: 2038653 EC 번호: 232-087-8

등급 & 순도 ≥98%

Synonyms

(1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene | 2-PINENE, (1R,5R)-(+)- | H6CM4TWH1W | EC 232-087-8 | (R)-(+)-.ALPHA.-PINENE | HY-Y0739 | 4-Phenylthio-2-aminonitrobenzene | (R)-(+)--Pinene;(+)--Pinene; (1R)-(+)--Pinene; (1R)--Pinene; (1R,5R)-(+)--Pinene

Storage

Room temperature

Shipped In

FedEx DG Service

사양

동의어

(1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene | 2-PINENE, (1R,5R)-(+)- | H6CM4TWH1W | EC 232-087-8 | (R)-(+)-.ALPHA.-PINENE | HY-Y0739 | 4-Phenylthio-2-aminonitrobenzene | (R)-(+)--Pinene;(+)--Pinene; (1R)-(+)--Pinene; (1R)--Pinene; (1R,5R)-(+)--Pinene

사양 및 순도

≥98%

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥98%

이름과 식별자

Pubchem Sid

488186073

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186073

정식 스마일

CC1=CCC2CC1C2(C)C

IUPAC Name

(1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

InChIKey

GRWFGVWFFZKLTI-RKDXNWHRSA-N

INCHI

1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1

이성체 SMILES

CC1=CC[C@@H]2C[C@H]1C2(C)C

WGK 독일

3

UN 번호

2368

분자량

136.24

Beilstein

2038653

Reaxy-Rn

1560714

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1560714&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Polycyclic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Pinane monoterpenoid - Bicyclic monoterpenoid - Branched unsaturated hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• External Descriptors: Bicyclic monoterpenoids

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

관련 대상(인간)

U373 MG (658 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAPK13 Tchem MAP kinase p38 (1586 Activities)

Discover Target: MAPK13

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Salmonella typhimurium (15756 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Vibrio parahaemolyticus (473 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Listeria monocytogenes (2626 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Bacillus cereus (7522 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Ether, Alcohols, Chloroform. Not miscible in water.
• 굴절률: 1.47
• 특정 회전[α]: +42.0 to +46.0 deg-C(neat)
• 발화점(°F): 89°F
• 발화점(°C): 32°C
• 끓는점(°C): 154-156°C
• 녹는점(°C): -62°C
• 분자량: 136.230 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• 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: 186.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 7785-70-8, the molecular formula is C10H16, and the molecular weight is 136.24 g/mol. InChIKey GRWFGVWFFZKLTI-RKDXNWHRSA-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.