Cas no 4938-52-7 (1-Hepten-3-ol)

1-Hepten-3-ol, a primary alcohol with a seven-carbon chain, exhibits notable chemical stability and versatility. It serves as an essential intermediate in the synthesis of various organic compounds, including fragrances and pharmaceuticals. Its unique structure provides favorable reactivity for substitution reactions, making it a valuable building block in organic synthesis.
1-Hepten-3-ol structure
1-Hepten-3-ol structure
Product Name:1-Hepten-3-ol
CAS No:4938-52-7
MF:C7H14O
MW:114.185462474823
MDL:MFCD00021940
CID:45428
PubChem ID:24901981
Update Time:2025-07-22

1-Hepten-3-ol Chemical and Physical Properties

Names and Identifiers

    • 1-Hepten-3-ol
    • n-Butyl vinyl carbinol
    • hept-1-en-3-ol
    • 1-heptene-3-ol
    • 3-hydroxyhept-1-ene
    • Butyl vinyl carbinol
    • heptene-1-ol-3
    • MDL: MFCD00021940
    • Inchi: 1S/C7H14O/c1-3-5-6-7(8)4-2/h4,7-8H,2-3,5-6H2,1H3
    • InChI Key: PZKFYTOLVRCMOA-UHFFFAOYSA-N
    • SMILES: CCCCC(C=C)O
    • BRN: 1720340

Computed Properties

  • Exact Mass: 114.10400
  • Monoisotopic Mass: 114.104
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 4
  • Complexity: 59.4
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2
  • Topological Polar Surface Area: 20.2A^2

Experimental Properties

  • Color/Form: liquid
  • Density: 0.836?g/mL?at 20?°C
    0.836?g/mL?at 25?°C(lit.)
  • Melting Point: 26°C (estimate)
  • Boiling Point: 153-156?°C(lit.)
  • Flash Point: Fahrenheit: 129.2 ° f
    Celsius: 54 ° c
  • Refractive Index: n20/D 1.433(lit.)
  • Stability/Shelf Life: Stable. Flammable. Incompatible with strong oxidizing agents.
  • PSA: 20.23000
  • LogP: 1.72350
  • Solubility: Uncertain
  • FEMA: 4129 | (+/-)-1-HEPTEN-3-OL

1-Hepten-3-ol Security Information

  • Symbol: GHS02 GHS07
  • Signal Word:Warning
  • Hazard Statement: H226-H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:UN 1987 3/PG 3
  • WGK Germany:3
  • Hazard Category Code: 10-36/37/38
  • Safety Instruction: S16-S26-S36/37/39
  • FLUKA BRAND F CODES:10-23
  • Hazardous Material Identification: Xi
  • HazardClass:3
  • PackingGroup:III
  • TSCA:Yes
  • Risk Phrases:R10
  • Packing Group:III
  • Safety Term:3
  • Packing Group:III
  • Hazard Level:3

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1-Hepten-3-ol Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
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(CAS:4938-52-7)1-HEPTEN-3-OL
Order Number:sfd12070
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:36
Price ($):discuss personally
Jiangsu Xinsu New Materials Co., Ltd
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(CAS:4938-52-7)
Order Number:SFD1235
Stock Status:
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Wednesday, 11 December 2024 17:02
Price ($):
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:4938-52-7)1-Hepten-3-ol
Order Number:LE7815
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:58
Price ($):discuss personally

Additional information on 1-Hepten-3-ol

Chemical Profile of 1-Hepten-3-ol (CAS No. 4938-52-7)

1-Hepten-3-ol, identified by the chemical compound code CAS No. 4938-52-7, is an organic compound belonging to the alcohol class. This linear aliphatic alcohol features a seven-carbon chain with a hydroxyl group (-OH) positioned at the third carbon, making it a secondary alcohol. The compound is characterized by its molecular formula, C7H14O, and exhibits a molecular weight of approximately 114.19 g/mol. 1-Hepten-3-ol is known for its distinctive fruity odor and is commonly utilized in various industrial and laboratory applications due to its unique chemical properties.

The synthesis of 1-Hepten-3-ol can be achieved through multiple pathways, with one of the most prominent methods being the reduction of heptanal or through the hydroformylation of 1-hexene. These synthetic routes highlight the compound's versatility in organic chemistry, allowing for its production under different conditions and scales. The compound's reactivity as a secondary alcohol makes it a valuable intermediate in the synthesis of more complex molecules, including esters, ethers, and other alcohols.

In recent years, 1-Hepten-3-ol has garnered attention in the field of specialty chemicals and pharmaceuticals. Its structural features make it a potential precursor in the development of bioactive compounds. For instance, researchers have explored its utility in generating derivatives that exhibit antimicrobial and anti-inflammatory properties. These studies leverage the compound's ability to undergo further functionalization, enabling the creation of novel molecules with therapeutic potential.

The role of 1-Hepten-3-ol in industrial applications is equally significant. It serves as a fragrance component in perfumes and cosmetics, where its pleasant aroma contributes to the sensory appeal of various products. Additionally, the compound is employed as an intermediate in the production of solvents and plasticizers, enhancing material properties in manufacturing processes. Its compatibility with other organic compounds makes it a preferred choice in formulating blends that require specific chemical behaviors.

From an environmental perspective, 1-Hepten-3-ol has been studied for its biodegradability and ecological impact. Research indicates that under certain conditions, the compound can be metabolized by microorganisms, suggesting a relatively low persistence in natural systems. This characteristic is particularly relevant in industries where environmental responsibility is a key concern, as it allows for the use of 1-Hepten-3-ol without significant long-term ecological risks.

The chemical reactivity of 1-Hepten-3-ol also positions it as a candidate for green chemistry initiatives. Its participation in catalytic processes that minimize waste and energy consumption aligns with sustainable practices. For example, enzymatic routes have been investigated for synthesizing 1-Hepten-3-ol, offering a more eco-friendly alternative to traditional chemical synthesis methods. Such advancements underscore the compound's importance not only as a chemical intermediate but also as a model for sustainable chemical manufacturing.

In conclusion, 1-Hepten-3-ol (CAS No. 4938-52-7) represents a multifaceted compound with broad applications across multiple sectors. Its unique structural attributes enable diverse synthetic pathways and functionalization opportunities, making it valuable in pharmaceutical research and industrial chemistry. Furthermore, its environmental profile supports its use in sustainable practices, reinforcing its relevance in modern chemical science.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:4938-52-7)1-HEPTEN-3-OL
sfd12070
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Jiangsu Xinsu New Materials Co., Ltd
(CAS:4938-52-7)
SFD1235
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email