Cas no 871-91-0 (7-Octyn-1-ol)

7-Octyn-1-ol structure
7-Octyn-1-ol structure
Product Name:7-Octyn-1-ol
CAS No:871-91-0
MF:C8H14O
MW:126.196162700653
MDL:MFCD01632137
CID:724821
PubChem ID:70100
Update Time:2024-10-26

7-Octyn-1-ol Chemical and Physical Properties

Names and Identifiers

    • 7-Octyn-1-ol
    • 3-OCTYN-1-OL
    • oct-7-yn-1-ol
    • 2-octyn-1-ol
    • 8-Hydroxy-1-octyne
    • 7-octyne-1-ol
    • PubChem13076
    • 7-Octyn-1-ol, AldrichCPR
    • ATCNYMVVGBLQMQ-UHFFFAOYSA-N
    • KM2490
    • TRA0037721
    • X5980
    • ST24045723
    • O0445
    • Z2235409401
    • Oct-7-yne-1-ol
    • AKOS005137929
    • DTXCID4048567
    • DTXSID6061234
    • BP-29666
    • J-519326
    • 871-91-0
    • SY051403
    • SCHEMBL130671
    • CS-W008554
    • Z1198157198
    • EN300-99429
    • DS-14712
    • PD167318
    • MFCD01632137
    • DB-008509
    • MDL： MFCD01632137
    • Inchi： 1S/C8H14O/c1-2-3-4-5-6-7-8-9/h1,9H,3-8H2
    • InChI Key： ATCNYMVVGBLQMQ-UHFFFAOYSA-N
    • SMILES： C#CCCCCCCO

Computed Properties

  • Exact Mass: 126.10400
  • Monoisotopic Mass: 126.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 5
  • Complexity: 88
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.2
  • XLogP3: 1.9

Experimental Properties

  • Density: 0.889
  • Melting Point: -39°C (estimate)
  • Boiling Point: 70°C/0.5mmHg(lit.)
  • Flash Point: 116 oC
  • Refractive Index: 1.4520 to 1.4560
  • PSA: 20.23000
  • LogP: 1.56240
  • Sensitiveness: Sensitive to air
  • λmax: 226(CH3CN)(lit.)

7-Octyn-1-ol Security Information

  • Signal Word：Warning
  • Hazard Statement： H315-H319-H335
  • Warning Statement： P261-P305+P351+P338
  • Hazardous Material transportation number：UN 1987
  • Hazard Category Code： 10
  • Safety Instruction： S16
  • Risk Phrases：R10
  • Storage Condition：Inert atmosphere,2-8°C

7-Octyn-1-ol Customs Data

  • HS CODE：2905290000
  • Customs Data：

    China Customs Code:

    2905290000

    Overview:

    2905290000 Other unsaturated monohydric alcohols.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2905290000 unsaturated monohydric alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

7-Octyn-1-ol Pricemore >>

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7-Octyn-1-ol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Lithium
1.2 Reagents: Potassium tert-butoxide
Reference
Regioselective palladium-catalyzed cross-coupling reactions in the synthesis of novel 2,3-disubstituted thiophene derivatives
Pereira, R.; et al, Tetrahedron, 2001, 57(37), 7871-7881

Production Method 2

Reaction Conditions
1.1 Reagents: 1,3-Propanediamine, potassium salt (1:1) Solvents: Ammonia
Reference
Stereocontrolled total synthesis of the macrocyclic lactone (-)-aspicilin
Waanders, P. P.; et al, Tetrahedron Letters, 1987, 28(21), 2409-12

Production Method 3

Reaction Conditions
1.1 Reagents: p-Toluenesulfonic acid Solvents: Ethanol
Reference
Novel Strategies for the Construction of Macrocyclic Resorcylate Natural Products
Major, Sarah Margaret, 2007, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ;  0 °C; 0 °C → rt; 3 h, rt
1.2 Reagents: Ammonium chloride Solvents: Water ;  rt
1.3 Solvents: Tetrahydrofuran ;  30 min, reflux
Reference
In Situ Proteome Profiling of C75, a Covalent Bioactive Compound with Potential Anticancer Activities
Cheng, Xiamin; et al, Organic Letters, 2014, 16(5), 1414-1417

Production Method 5

Reaction Conditions
1.1 Reagents: Acetic acid Solvents: Tetrahydrofuran ,  Water
Reference
Diels-Alder reactivity of pyrano[3,4-b]indol-3-ones. Part 3. Intramolecular Diels-Alder reactions
Moody, Christopher J.; et al, Journal of the Chemical Society, 1988, (12), 3249-54

Production Method 6

Reaction Conditions
1.1 Reagents: Sodium amide Solvents: 1,3-Propanediamine
Reference
Short and stereoselective syntheses of pheromone components of Aproaerema modicella
Yadav, J. S.; et al, Synthetic Communications, 1995, 25(24), 4035-43

Production Method 7

Reaction Conditions
1.1 Reagents: 1,3-Propanediamine, potassium salt (1:1) Solvents: 1,3-Propanediamine
Reference
Cyclic ethers as synthetic equivalents of ω-alkyn-1-ols
Barajas, Leticia; et al, Synthetic Communications, 1990, 20(17), 2733-9

Production Method 8

Reaction Conditions
1.1 Reagents: Ammonia ,  Lithium aluminum hydride
Reference
Fatty acids labeled in the ω position with a γ-emitting radioactive nuclide
Riche, Francoise; et al, Bulletin de la Societe Chimique de France, 1984, 49, 49-55

Production Method 9

Reaction Conditions
Reference
Extemporized preparation of an injectable fatty acid labeled with radioactive iodine, and iodinated derivatives useful in carrying out this process
, European Patent Organization, , ,

Production Method 10

Reaction Conditions
1.1 Reagents: Lithium ,  Ammonia Catalysts: Ferric nitrate ;  1.5 h, -78 °C
1.2 Solvents: Tetrahydrofuran ;  -78 °C; 1 h, -78 °C; -78 °C → rt; overnight, rt
1.3 Solvents: Water ;  rt
2.1 Reagents: Sodium hydride Solvents: Ethylenediamine ;  0 °C; 1 - 2 h, rt; rt → 60 °C; 1 h, 60 °C
2.2 60 °C; 60 °C → 70 °C; 1 - 2 h, 70 °C; 70 °C → 0 °C
2.3 Reagents: Hydrochloric acid Solvents: Water ;  0 °C
Reference
Enantioselective Rhodium-Catalyzed Dimerization of ω-Allenyl Carboxylic Acids: Straightforward Synthesis of C2-Symmetric Macrodiolides
Steib, Philip; et al, Angewandte Chemie, 2018, 57(22), 6572-6576

Production Method 11

Reaction Conditions
1.1 Catalysts: p-Toluenesulfonic acid Solvents: Methanol ;  3 h, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  pH 7, rt
2.1 Reagents: 1,3-Propanediamine ,  Lithium ;  2 h, 70 °C; 70 °C → rt
2.2 Reagents: Potassium tert-butoxide ;  25 min, rt
2.3 overnight, rt
Reference
Shape-Directed Patterning and Surface Reaction of Tetra-diacetylene Monolayers: Formation of Linear and Two-Dimensional Grid Polydiacetylene Alternating Copolymers
Yang, Yan; et al, Langmuir, 2015, 31(45), 12408-12416

Production Method 12

Reaction Conditions
1.1 Reagents: Lithium amide Solvents: Ammonia
1.2 -
2.1 Reagents: 1,3-Propanediamine, potassium salt (1:1) Solvents: Ammonia
Reference
Stereocontrolled total synthesis of the macrocyclic lactone (-)-aspicilin
Waanders, P. P.; et al, Tetrahedron Letters, 1987, 28(21), 2409-12

Production Method 13

Reaction Conditions
1.1 Reagents: Ethylenediamine ,  Sodium hydride ;  5 min, 0 °C; 1 h, rt; 1 h, 65 °C; 65 °C → 45 °C
1.2 2 min, 45 °C; 45 °C → 65 °C; 1 h, 65 °C; 65 °C → 0 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ;  0 °C
Reference
Total Synthesis of the Cytotoxic Enehydrazide Natural Products Hydrazidomycins A and B by a Carbazate Addition/Peterson Olefination Approach
Beveridge, Ramsay E.; et al, Organic Letters, 2013, 15(12), 3086-3089

Production Method 14

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide ,  Lithium Solvents: 1,3-Propanediamine ;  15 min, rt
1.2 2 h, rt
Reference
Chromogenic Tubular Polydiacetylenes from Topochemical Polymerization of Self-Assembled Macrocyclic Diacetylenes
Heo, Jung-Moo; et al, Macromolecules (Washington, 2017, 50(3), 900-913

Production Method 15

Reaction Conditions
1.1 Reagents: 1,3-Propanediamine ,  Lithium ;  3 h, 70 °C; 70 °C → rt
1.2 Reagents: Potassium tert-butoxide ;  30 min, rt
1.3 2 h, rt
Reference
6,6'-Dimethyl-2,2'-bipyridine-4-ester: A pivotal synthon for building tethered bipyridine ligands
Havas, Fabien; et al, Tetrahedron, 2009, 65(36), 7673-7686

Production Method 16

Reaction Conditions
1.1 Reagents: 1,3-Propanediamine ,  Sodium hydride Solvents: Hexane ;  10 min, 60 °C
1.2 3 h, 0 °C → rt
1.3 Solvents: Methanol ,  Water ;  rt
Reference
Total Synthesis and Structural Elucidation of Two Unusual Non-Methylene-Interrupted Fatty Acids in Ovaries of the Limpet Cellana toreuma
Shimada, Kazuaki; et al, Lipids, 2017, 52(12), 1019-1032

Production Method 17

Reaction Conditions
Reference
Extemporized preparation of an injectable fatty acid labeled with radioactive iodine, and iodinated derivatives useful in carrying out this process
, European Patent Organization, , ,

Production Method 18

Reaction Conditions
1.1 Reagents: Formic acid Catalysts: Ruthenium(1+), (η5-2,4-cyclopentadien-1-yl)[N1,N1-dimethyl-N3-[(2-pyridinyl-κN)m… Solvents: N-Methyl-2-pyrrolidone ,  Water ;  24 h, 25 °C
Reference
A Highly Active and Air-Stable Ruthenium Complex for the Ambient Temperature Anti-Markovnikov Reductive Hydration of Terminal Alkynes
Zeng, Mingshuo; et al, Journal of the American Chemical Society, 2014, 136(19), 7058-7067

Production Method 19

Reaction Conditions
1.1 Reagents: Ammonia ,  Lithium amide Catalysts: 1,3-Propanediamine
Reference
The synthesis and absolute configuration of the novel ichthyotoxic diacylglycerol, umbraculumin A
De Medeiros, Edna Faria; et al, Tetrahedron Letters, 1990, 31(41), 5843-4

Production Method 20

Reaction Conditions
1.1 Reagents: Butyllithium ,  Hexamethylphosphoramide Solvents: Tetrahydrofuran
2.1 Reagents: 1,3-Propanediamine, potassium salt (1:1)
Reference
Synthesis of polyacetylenic acids isolated from Heisteria acuminata
Zeni, Gilson; et al, Organic Letters, 2001, 3(6), 819-821

Production Method 21

Reaction Conditions
1.1 Reagents: Pyridinium p-toluenesulfonate Solvents: Ethanol
1.2 Reagents: 1,3-Propanediamine ,  Potassium tert-butoxide ,  Lithium
Reference
Study of the regioselectivity in the hydrotelluration of hydroxy alkynes
Stefani, Helio A.; et al, Phosphorus, 2001, 171, 171-172

Production Method 22

Reaction Conditions
1.1 Solvents: Dimethyl sulfoxide
1.2 Reagents: Ethylenediamine ,  Lithium acetylide (Li(C2H))
Reference
The structure-activity relationship between phenylene-polymethylene bis-ammonium derivatives and their neuromuscular blocking action on mouse phrenic nerve-diaphragm muscle
Kimura, Masayasu; et al, Biological & Pharmaceutical Bulletin, 1994, 17(9), 1224-31

Production Method 23

Reaction Conditions
1.1 Solvents: Dimethylformamide
2.1 Reagents: Acetic acid Solvents: Tetrahydrofuran ,  Water
Reference
Diels-Alder reactivity of pyrano[3,4-b]indol-3-ones. Part 3. Intramolecular Diels-Alder reactions
Moody, Christopher J.; et al, Journal of the Chemical Society, 1988, (12), 3249-54

Production Method 24

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexamethylphosphoramide
1.2 Solvents: Tetrahydrofuran
2.1 Reagents: Pyridinium p-toluenesulfonate Solvents: Ethanol
2.2 Reagents: 1,3-Propanediamine ,  Potassium tert-butoxide ,  Lithium
Reference
Study of the regioselectivity in the hydrotelluration of hydroxy alkynes
Stefani, Helio A.; et al, Phosphorus, 2001, 171, 171-172

Production Method 25

Reaction Conditions
1.1 Reagents: Butyllithium ,  Hexamethylphosphoramide Solvents: Tetrahydrofuran ,  Hexane ;  -78 °C; 45 min, -78 °C; -78 °C → -10 °C
1.2 12 h, rt
1.3 Reagents: Ammonium chloride Solvents: Water ;  rt
2.1 Catalysts: p-Toluenesulfonic acid Solvents: Methanol ;  3 h, rt
2.2 Reagents: Sodium bicarbonate Solvents: Water ;  pH 7, rt
3.1 Reagents: 1,3-Propanediamine ,  Lithium ;  2 h, 70 °C; 70 °C → rt
3.2 Reagents: Potassium tert-butoxide ;  25 min, rt
3.3 overnight, rt
Reference
Shape-Directed Patterning and Surface Reaction of Tetra-diacetylene Monolayers: Formation of Linear and Two-Dimensional Grid Polydiacetylene Alternating Copolymers
Yang, Yan; et al, Langmuir, 2015, 31(45), 12408-12416

Production Method 26

Reaction Conditions
1.1 Reagents: p-Toluenesulfonic acid Solvents: Methyl chloride
2.1 Solvents: Dimethyl sulfoxide
2.2 Reagents: Ethylenediamine ,  Lithium acetylide (Li(C2H))
Reference
The structure-activity relationship between phenylene-polymethylene bis-ammonium derivatives and their neuromuscular blocking action on mouse phrenic nerve-diaphragm muscle
Kimura, Masayasu; et al, Biological & Pharmaceutical Bulletin, 1994, 17(9), 1224-31

Production Method 27

Reaction Conditions
1.1 Reagents: Hydrogen bromide
2.1 Reagents: Ammonia ,  Lithium aluminum hydride
Reference
Fatty acids labeled in the ω position with a γ-emitting radioactive nuclide
Riche, Francoise; et al, Bulletin de la Societe Chimique de France, 1984, 49, 49-55

7-Octyn-1-ol Raw materials

7-Octyn-1-ol Preparation Products

7-Octyn-1-ol Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:871-91-0)7-OCTYN-1-OL
Order Number:1660492
Stock Status:in Stock
Quantity:Company Customization
Purity:98%
Pricing Information Last Updated:Monday, 14 April 2025 21:49
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:871-91-0)4-壬炔-1-醇
Order Number:LE1660492
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:31
Price ($):discuss personally

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Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:871-91-0)7-OCTYN-1-OL
1660492
Purity:98%
Quantity:Company Customization
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:871-91-0)4-壬炔-1-醇
LE1660492
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email