CAS No.80-56-8,alpha-Pinene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	80-56-8
Name:	alpha-Pinene
Article Data:	84

Formula:	C₁₀H₁₆
Molecular Weight:	136.237
Synonyms:	2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene;2-Pinene;DL-Pin-2(3)-ene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene;
EINECS:	201-291-9
Density:	0.879 g/cm³
Melting Point:	- 55°C
Boiling Point:	157.883 °C at 760 mmHg
Flash Point:	32.222 °C
Solubility:	insoluble in water
Appearance:	liquid with a turpentine odour
Hazard Symbols:	Xn; N
Risk Codes:	10-36/37/38-51/53-65
Safety:	16-26-29-37/39-61
Transport Information:	UN 2368 3/PG 3
PSA:	0.00000
LogP:	2.99870

Synthetic route

: 422567-10-0
dithiocarbonic acid S-methyl ester-O-pinan-3-yl ester

A: 74-93-1
methylthiol

B: 463-58-1
carbon oxide sulfide

: 80-56-8
rac-α-pinene

Conditions

Conditions	Yield
at 170 - 190℃; pinocamphylxanthogenic acid methyl ester from inactive pinocampheol;

...Expand

: 177698-19-0
Beta-pinene

: 65-85-0
benzoic acid

: 80-56-8
rac-α-pinene

Conditions

Conditions	Yield
at 125 - 130℃; levorotatory form;
at 125 - 130℃; levorotatory form;

: 127-91-3
(1R,5R)-(+)-β-pinene

A: 99-86-5
1-methyl-4-isopropyl-1,3-cyclohexadiene

B: 99-87-6
4-methylisopropylbenzene

C: 99-85-4
crithmene

: 565-00-4
dl-camphene

: 80-56-8
rac-α-pinene

Conditions

Conditions	Yield
With pyridine; hydrogen; platinum-alumina(0.6 percentPt) at 300℃; for 0.79h; Product distribution; effects of partial pressures of N2, H2, pyridine;

...Expand

: 127-91-3
(1R,5R)-(+)-β-pinene

A: 99-86-5
1-methyl-4-isopropyl-1,3-cyclohexadiene

B: 99-87-6
4-methylisopropylbenzene

: 80-56-8
rac-α-pinene

Conditions

Conditions	Yield
With hydrogen; platinum-alumina(0.6 percent Pt) at 300℃; Yield given;

...Expand

: 177698-19-0
Beta-pinene

: 69-72-7
salicylic acid

: 80-56-8
rac-α-pinene

B: 138-86-3
limonene.

C bornyl ester: bornyl ester

D terpinene: terpinene

Conditions

Conditions	Yield
at 160℃; levorotatory form;

...Expand

: 79-92-5
camphene

: 10028-15-6
ozone

: 80-56-8
rac-α-pinene

Conditions

Conditions	Yield
dl-camphene;

hydrazone of (+)-pinocamphone: hydrazone of (+)-pinocamphone

A: 24031-99-0
(-)-trans-δ-pinene

: 80-56-8
rac-α-pinene

Conditions

Conditions	Yield
With ethanol; mercury(II) oxide

: 177698-19-0
Beta-pinene

: 201230-82-2
carbon monoxide

: 80-56-8
rac-α-pinene

B: 60113-43-1
(+)-3-formylpinane

: 473-55-2, 4755-33-3, 4795-86-2, 4863-59-6, 6876-13-7, 10281-53-5, 33626-25-4, 112456-46-9, 112456-47-0
trans-pinane

: trans-10-formylpinane

Conditions

Conditions	Yield
With hydrogen; di-μ-acetato-bis(η4-1,5-cyclooctadiene)dirhodium(I) In benzene at 120℃; under 67505.4 Torr; for 4h;

...Expand

: 177698-19-0
Beta-pinene

: 201230-82-2
carbon monoxide

: 80-56-8
rac-α-pinene

: 473-55-2, 4755-33-3, 4795-86-2, 4863-59-6, 6876-13-7, 10281-53-5, 33626-25-4, 112456-46-9, 112456-47-0
trans-pinane

: cis-10-formylpinane

: trans-10-formylpinane

Conditions

Conditions	Yield
With hydrogen; di-μ-acetato-bis(η4-1,5-cyclooctadiene)dirhodium(I) In benzene at 100℃; under 67505.4 Torr; for 4h; Product distribution; Further Variations:; Reagents; Temperatures;
With hydrogen; 1,2-bis-(diphenylphosphino)ethane; di-μ-acetato-bis(η4-1,5-cyclooctadiene)dirhodium(I) In benzene at 100℃; under 67505.4 Torr; for 4h;

...Expand

: 177698-19-0
Beta-pinene

: 98-86-2
acetophenone

: 80-56-8
rac-α-pinene

: 473-55-2, 4755-33-3, 4795-86-2, 4863-59-6, 6876-13-7, 10281-53-5, 33626-25-4, 112456-46-9, 112456-47-0
trans-pinane

: cis-10-formylpinane

: trans-10-formylpinane

Conditions

Conditions	Yield
di-μ-acetato-bis(η4-1,5-cyclooctadiene)dirhodium(I) In benzene-d6 at 100℃; under 67505.4 Torr; for 4h;

...Expand

Raw Materials

201230-82-2

104715-14-2

18172-67-3

67-56-1

515-00-4

115-10-6

763-10-0

2704-78-1

Downstream Products

1820-09-3

26946-66-7

473-55-2

124-38-9

99-83-2

514-94-3

7785-26-4

4724-89-4

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid
ACGIH TLV: TWA 20 ppm (sensitizer); Not Classifiable as a Human Carcinogen

Specification

The 2-Pinene, with the CAS registry number 80-56-8 and EINECS registry number 201-291-9, has the systematic name of 2,6,6-trimethylbicyclo[3.1.1]hept-2-ene. And the molecular formula of this chemical is C₁₀H₁₆. It is a kind of liquid with a turpentine odour, and belongs to the following product categories: Alkenes; Cyclic; Organic Building Blocks.

The 2-Pinene is an organic compound of the terpene class, one of two isomers of pinene. It is an alkene and it contains a reactive four-membered ring. It is found the oils of many species of many coniferous trees, notably the pine. It is also found in the essential oil of rosemary (Rosmarinus officinalis).

The physical properties of 2-Pinene are as following: (1)ACD/LogP: 4.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.321; (4)ACD/LogD (pH 7.4): 4.321; (5)ACD/BCF (pH 5.5): 1131.583; (6)ACD/BCF (pH 7.4): 1131.583; (7)ACD/KOC (pH 5.5): 5338.61; (8)ACD/KOC (pH 7.4): 5338.61; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 43.964 cm³; (15)Molar Volume: 154.905 cm³; (16)Polarizability: 17.429×10^-24cm³; (17)Surface Tension: 25.341 dyne/cm; (18)Density: 0.879 g/cm³; (19)Flash Point: 32.222 °C; (20)Enthalpy of Vaporization: 37.831 kJ/mol; (21)Boiling Point: 157.883 °C at 760 mmHg; (22)Vapour Pressure: 3.489 mmHg at 25°C.

Preparation and uses of 2-Pinene: It can be obtained by the fractionation of Turpentine. And it is often used as the raw material of terpineol, linalool and sandal flavor. It is also used in perfume and deodorant. What's more, it is used in manufacture of camphor, insecticides, solvents, plasticizers, perfume bases, synthetic pine oil.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical, and it irritates eyes, respiratory system and skin. It may cause sensitization by skin contact, and lung damage if swallowed. What's more, it is toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition - No smoking; Do not empty into drains; Avoid release to the environment. Refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1=CCC2CC1C2(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
(3)InChIKey: GRWFGVWFFZKLTI-UHFFFAOYAF

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LCLo	inhalation	572ug/m³ (0.572mg/m³)	BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Food and Cosmetics Toxicology. Vol. 16, Pg. 853, 1978.
mouse	LD	intraperitoneal	> 500mg/kg (500mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 232, 1952.
rat	LCLo	inhalation	625ug/^m3 (0.625mg/m³)	BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Food and Cosmetics Toxicology. Vol. 16, Pg. 853, 1978.
rat	LD50	oral	3700mg/kg (3700mg/kg)	BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Food and Cosmetics Toxicology. Vol. 16, Pg. 853, 1978.