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Cas Database

Name	(1S)-(-)-alpha-Pinene	EINECS	232-077-3
CAS No.	7785-26-4	Density	0.879 g/cm³
PSA	0.00000	LogP	2.99870
Solubility	insoluble in water	Melting Point	-64 °C(lit.)
Formula	C₁₀H₁₆	Boiling Point	157.9 °C at 760 mmHg
Molecular Weight	136.237	Flash Point	32.2 °C
Transport Information	UN 2368 3/PG 3	Appearance	clear colourless liquid
Safety	26-36/37-61-16-60	Risk Codes	10-36/37/38-43-50-65-51/53-20/21/22
Molecular Structure		Hazard Symbols	Xi,N,Xn
Synonyms	2-Pinene,(1S,5S)-(-)- (8CI);Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-;(-)-(1S)-a-Pinene;(-)-2-Pinene;(-)-a-Pinene;(1S)-(-)-a-Pinene;(1S,5S)-(-)-a-Pinene;(S)-(-)-a-Pinene;1S-a-Pinene;l-a-Pinene;	Article Data	33

(1S)-(-)-alpha-Pinene Synthetic route

: 18172-67-3, 19902-08-0
beta-pinene

: 7785-26-4
(-)-α-pinene

Conditions

Conditions	Yield
With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; potassium carbonate; cobalt(II) aceylacetonate In N,N-dimethyl-formamide at 25℃; for 16h; Irradiation;	98%
With potassium hydride; Trimethylenediamine In mineral oil at 25℃; for 24.25h; Temperature; Inert atmosphere;	93%
isomerization;	86%

: C20H35B

: 7785-26-4
(-)-α-pinene

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; benzaldehyde at 100℃; for 1h; Inert atmosphere;	95%

: 18172-67-3, 19902-08-0
beta-pinene

A: 7785-26-4
(-)-α-pinene

B: 7785-70-8
(+)-α-pinene

C: 2,4,4-Trimethyl-8-methylene-3-aza-bicyclo[3.3.1]non-2-ene

Conditions

Conditions	Yield
With chloranil In dichloromethane; acetonitrile Irradiation; Yield given;	A n/a B n/a C 5%

: 55527-89-4
(-)-myrtenyl bromide

: 7785-26-4
(-)-α-pinene

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; diethyl ether

: 80-56-8
rac-α-pinene

A: 7785-26-4
(-)-α-pinene

B: 7785-70-8
(+)-α-pinene

Conditions

Conditions	Yield
Leiten des Dampfes durch Gelatine-Hydrosol;

: 18172-67-3, 19902-08-0
beta-pinene

: 144-62-7
oxalic acid

: 7785-26-4
(-)-α-pinene

: 7647-01-0
hydrogenchloride

: 60-29-7
diethyl ether

: 35519-42-7
2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol

A: 7785-26-4
(-)-α-pinene

B: 138-86-3
limonene.

C (1R)-2endo-chloro-1,3,3-trimethyl-norbornane(?): (1R)-2endo-chloro-1,3,3-trimethyl-norbornane(?)

D (1S)-2endo-chloro-bornane: (1S)-2endo-chloro-bornane

Conditions

Conditions	Yield
Erwaermen des Reaktionsprodukts mit aethanol. Kalilauge;

...Expand

: 7647-01-0
hydrogenchloride

: 60-29-7
diethyl ether

: 35408-04-9
2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol

A: 7785-26-4
(-)-α-pinene

B: 1195-77-3, 3372-12-1, 90976-73-1
(1S)-2-endo-chlorofenchane

C: 138-86-3
limonene.

Conditions

Conditions	Yield
Erwaermen des Reaktionsprodukts mit aethanol. Kalilauge;

...Expand

bis: bis

A: 7785-26-4
(-)-α-pinene

: 4080-46-0, 23733-90-6, 30460-81-2
(+)-dehydro-β-pinene

Conditions

Conditions	Yield
at 150 - 170℃; under 0.07 Torr;

: 201230-82-2
carbon monoxide

: 18172-67-3, 19902-08-0
beta-pinene

: 111-92-2
dibutylamine

A: 7785-26-4
(-)-α-pinene

B: 199445-88-0
2-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)acetaldehyde

C: C19H35N

D: 1350552-88-3
C19H37N

Conditions

Conditions	Yield
With methoxy(cyclooctadiene)rhodium(I) dimer; hydrogen; triphenylphosphine In toluene at 100℃; under 45603.1 Torr; for 4h; Inert atmosphere;

...Expand

(1S)-(-)-alpha-Pinene Specification

The Bicyclo[3.1.1]hept-2-ene,2,6,6-trimethyl-, (1S,5S)-, with the CAS registry number 7785-26-4 and EINECS registry number 232-077-3, has the systematic name of (1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene. It is a kind of clear colourless liquid, and belongs to the product categories: Industrial/Fine Chemicals; API intermediates; Bicyclic Monoterpenes; Biochemistry; Terpenes. The molecular formula of the chemical is C₁₀H₁₆.

The characteristics of Bicyclo[3.1.1]hept-2-ene,2,6,6-trimethyl-, (1S,5S)- are as followings: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 0 Å²; (7)Index of Refraction: 1.479; (8)Molar Refractivity: 43.96 cm³; (9)Molar Volume: 154.9 cm³; (10)Polarizability: 17.42×10^-24cm³; (11)Surface Tension: 25.3 dyne/cm; (12)Density: 0.879 g/cm³; (13)Flash Point: 32.2 °C; (14)Enthalpy of Vaporization: 37.83 kJ/mol; (15)Boiling Point: 157.9 °C at 760 mmHg; (16)Vapour Pressure: 3.49 mmHg at 25°C.

Uses of Bicyclo[3.1.1]hept-2-ene,2,6,6-trimethyl-, (1S,5S)-: It can be used to produce (1S,3R)-pin-2(10)-en-3-yl hydroperoxide. This reaction will need reagent methylene Blue, methylene Blue, isopropyl alcohol and oxygen.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C\1=C(\[C@@H]2C[C@H](C/1)C2(C)C)C
(2)InChI: InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1
(3)InChIKey: GRWFGVWFFZKLTI-IUCAKERBBG

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