2-Carene, (+)-

HCID 78249

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Basic information

CAS: 4497-92-1
Standard SMILES: CC1=C[C@H]2[C@@H](CC1)C2(C)C
InChIKey: IBVJWOMJGCHRRW-BDAKNGLRSA-N
Molecular formula: C10H16
Average molar mass: 136.23 g/mol
Monoisotopic mass: 136.12520051

Overview

Delta-2-carene is an organic molecular entity.

Names & identifiers

Preferred name: 2-Carene, (+)-
IUPAC: (1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene
English name: (+)-2-Carene
Molecular formula: C10H16
Molecular weight: 136.23

Names & synonyms

(+)-2-Carene4497-92-12-Carene, (+)-Bicyclo[4.1.0]hept-2-ene, 3,7,7-trimethyl-, (1S,6R)-PINONENE(1S,6R)-3,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-2-ENE(+)-Delta2-careneEINECS 224-792-4Bicyclo(4.1.0)hept-2-ene, 3,7,7-trimethyl-, (1S,6R)-DTXSID808840823,7,7-trimethyl bicyclohept-2-ene(1S-cis)-3,7,7-Trimethylbicyclo(4.1.0)hept-2-ene

Show more names

(+)-2-Caren2-CARENE 95+%(+)-2-Carene 97%(1S,6R)-Car-2-ene(1S-CIS)-2-CARENE(1S)-(+)-car-2-eneCARENE, (1S-CIS)-2-(+)-2-CARENE WITH GC(1S-cis)-2-Carene (SG)

(1S-cis)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene(1S,6R)-3,7,7-TRIMETHYLBICYCLO(4.1.0)HEPT-2-ENERefChem:468190DTXCID8010235524QX1KE38EFUNII-4QX1KE38EFdelta-4-careneSCHEMBL6880687

Database identifiers

CAS: 4497-92-1
PubChem CID: 78249
DTXSID: DTXSID80884082
ChEBI: CHEBI:192814
UNII: 4QX1KE38EF
EC Number: 224-792-4
Nikkaji: J205.869C

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 186

Physicochemical properties

Melting point: 25 °C · 25°C (estimate)
Boiling point: 167 · 167-168 °C(lit.)
Density: 0.862 g/mL · 0.862 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.476(lit.)
Flash point: 101 °F · 101 °F
optical activity: 20 · [α]20/D +90.0°, c = 6 in ethanol
BRN: 2038651 · 2038651
InChI: 1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1
InChIKey: IBVJWOMJGCHRRW-BDAKNGLRSA-N
SMILES: CC1=C[C@H]2[C@@H](CC1)C2(C)C
LogP: 4.321 · 4.321 (est)
FDA UNII: 4 QX1KE38EF · 4QX1KE38EF
EPA Substance Registry System: 4.1 · Bicyclo[4.1.0]hept-2-ene, 3,7,7-trimethyl-, (1S,6R)- (4497-92-1)
UNSPSC Code: 12352002 · 12352002
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 10 · 10
Safety Statements: 16 · 16-26-36/37/39-45
RIDADR: 3295 · UN 3295 3/PG 3
WGK Germany: 3 · 3
TSCA: TSCA listed
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 · Flam. Liq. 3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3295 3/PG 3
risk_code: 10
Signal word: Warning
Symbol(GHS): GHS02
hazard_code: Xi
safety_code: 16-26-36/37/39-45
Storage Class: 3 - Flammable liquids
Hazard statements: H226
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P210

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBicyclo[4.1.0]hept-2-ene, 3,7,7-trimethyl-, (1S,6R)-: ACTIVE

Applications

Uses(+)-2-Carene can be used as a chiral building block in the synthesis of chiral non-racemic 2,2-dimethyl-1,3-disubstituted cyclopropane derivatives. It is also used as a reactant in the enantio-selective synthesis of (+)-α-elemene.

Upstream & downstream products

Upstream raw materials

(1S,6R)-3,7,7-Trimethylbicyclo[4.1.0]heptan-3α-ol Bicyclo[4.1.0]heptan-2-ol, 7,7-dimethyl-, [1S-(1α,2β,6α)]- (9CI)Turpentine oil

Downstream products

(R）1-Phenyl-3-buten-1-ol p-Cymene alpha-Terpinene (1S)-(+)-3-Carene

Suppliers32 total

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

云南西力生物技术股份有限公司0871-65217109 · [email protected]

Additional notes

DefinitionChEBI: Delta-2-carene is a monoterpene.

Related reactions

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Compound notes

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