(1S)-(+)-3-Carene

• Catalog Number: ACM498157
• Product Name: (1S)-(+)-3-Carene
• CAS: 498-15-7
• Category: Heterocyclic Organic Compound
• Synonyms: (1S,6R)-3-Carene
• IUPAC Name: (1S,6R)-3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene
• Molecular Weight: 136.23
• Molecular Formula: C10H16
• Canonical SMILES: CC1=CCC2C(C1)C2(C)C
• InChI: InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m1/s1
• InChI Key: BQOFWKZOCNGFEC-BDAKNGLRSA-N
• Boiling Point: 170-172 °C(lit.)
• Melting Point: 25 °C
• Flash Point: 131 °F
• Density: 0.865 g/mL at 25 °C(lit.)
• Solubility: Soluble in acetone, ethanol, benzene
• Appearance: Clear very slightly yellow liquid
• Storage: -20 °C
• Complexity: 186
• Exact Mass: 136.12520051
• Hazard Statements: Xi,N
• Isomeric SMILES: CC1=CC[C@@H]2[C@H](C1)C2(C)C
• Monoisotopic Mass: 136.12520051
• Refractive Index: n20/D 1.473
• Safety Description: 36/37-60-61
• Supplemental Hazard Statements: H226-H317-H410
• Symbol: GHS02,GHS07,GHS09
• Topological Polar Surface Area: 0 Ų

Custom Q&A

What is the molecular formula of (+)-3-Carene?

The molecular formula of (+)-3-Carene is C10H16.

What is the molecular weight of (+)-3-Carene?

The molecular weight of (+)-3-Carene is 136.23 g/mol.

What are some synonyms for (+)-3-Carene?

Some synonyms for (+)-3-Carene include (+)-delta3-Carene and Isodiprene.

What is the IUPAC name of (+)-3-Carene?

The IUPAC name of (+)-3-Carene is (1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene.

What is the InChIKey for (+)-3-Carene?

The InChIKey for (+)-3-Carene is BQOFWKZOCNGFEC-BDAKNGLRSA-N.

What is the Canonical SMILES representation of (+)-3-Carene?

The Canonical SMILES representation of (+)-3-Carene is CC1=CCC2C(C1)C2(C)C.

What is the CAS number for (+)-3-Carene?

The CAS number for (+)-3-Carene is 498-15-7.

What is the XLogP3-AA value for (+)-3-Carene?

The XLogP3-AA value for (+)-3-Carene is 2.8.

How many hydrogen bond donor counts does (+)-3-Carene have?

(+)-3-Carene has 0 hydrogen bond donor counts.

What is the topological polar surface area of (+)-3-Carene?

The topological polar surface area of (+)-3-Carene is 0.