CAS No.: 102-76-1 — Triacetin (三乙酸甘油酯)

1. Primary Information

English name:	Triacetin
CAS No.:	102-76-1
Molecular formula:	C₉H₁₄O₆
Molecular weight:	218.20 g/mol
SMILES:	CC(=O)OCC(COC(=O)C)OC(=O)C
Structural class:
Other identifiers:	Enzactin Triacetin Triacetyl glycerol Triacetyl-glycerol Triacetylglycerol

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	500ml	AR，99.5%	60	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 28 0 0 0 0 0 0 0999 V2000 0.0565 -1.3271 0.3135 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 -0.0585 -0.2082 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6041 0.9185 0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -2.8597 -0.9026 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5002 1.9626 0.2195 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 1.5804 -0.8925 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -0.4215 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2315 0.6111 -0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 0.2335 -1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8466 -2.3372 0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5243 0.7436 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8123 1.5525 0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4006 -2.7304 1.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7487 -0.0931 0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1161 2.2254 1.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4882 -0.9842 -1.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9606 1.1507 0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3494 1.3255 -1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9562 -0.5004 -1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1087 0.9537 -1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1222 -3.5417 1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5936 -3.0832 2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9136 -1.8782 1.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9949 -0.6332 -0.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 -0.7907 1.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5904 0.5556 0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3488 2.9721 1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1675 1.4801 2.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0841 2.7299 1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 2 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2,3-diacetyloxypropyl acetate

4.2 InChI

InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3

4.3 InChIKey

URAYPUMNDPQOKB-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(=O)OCC(COC(=O)C)OC(=O)C

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)