CAS No.: 99-86-5 — α-Terpinene (α-松油烯)

1. Primary Information

English name:	α-Terpinene
CAS No.:	99-86-5
Molecular formula:	-
Molecular weight:	- g/mol
SMILES:	-
Structural class:
Other identifiers:	1,4-p-menthadiene alpha-terpinene beta-terpinene gamma-terpinene

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	GC≥94%	120	-20℃	in stock	-
Kehua Intelligence	25ml	90%	60	-20℃	in stock	-
Kehua Intelligence	100ml	90%	144	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 26 0 0 0 0 0 0 0999 V2000 0.7199 -0.2501 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2118 -0.3860 0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1754 1.1401 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3314 1.3030 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1342 0.0267 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1004 -1.3071 0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8321 0.0794 -1.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7848 0.3945 1.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5329 -1.1740 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 0.1734 -0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 -1.4416 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6991 1.8785 0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3595 1.4204 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7364 2.0278 -0.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4655 1.7438 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2895 -2.3094 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7139 1.1568 -1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 -0.4430 -2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9076 -0.1310 -1.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2707 0.1417 2.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7281 1.4787 1.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8446 0.1479 1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1103 -2.0927 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9839 0.7275 0.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1342 -0.7959 -0.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9202 0.7175 -0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-methyl-4-propan-2-ylcyclohexa-1,3-diene

4.2 InChI

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

4.3 InChIKey

YHQGMYUVUMAZJR-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=CC=C(CC1)C(C)C

4.5 Isomeric SMILES

4.6 SDF file

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5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

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5.2 ¹H nuclear magnetic resonance (¹H NMR)

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5.3 Mass spectrometry (MS)

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5.4 Infrared spectroscopy (IR)

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5.5 Ultraviolet/visible spectroscopy (UV/Vis)

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1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)