4938-52-7

Basic information

• Product Name: 1-HEPTEN-3-OL
• Synonyms: heptene-1-ol-3;1-HEPTEN-3-OL;FEMA 4129;HEPT-1-ENE-3-OL;TIMTEC-BB SBB008778;n-Butyl vinyl carbinol;hept-1-en-3-ol;1-HEPTEN-3-OL 97+%
• CAS NO: 4938-52-7
• Molecular Formula: C₇H₁₄O
• Molecular Weight: 114.19
• EINECS: 225-579-9
• Mol File: 4938-52-7.mol
• Article Data: 63

Chemical Properties

• Melting Point: 26°C (estimate)
• Boiling Point: 153-156 °C(lit.)
• Flash Point: 129 °F
• Appearance: liquid
• Density: 0.836 g/mL at 25 °C(lit.)
• Vapor Pressure: 1.16mmHg at 25°C
• Refractive Index: n20/D 1.433(lit.)
• PKA: 14.49±0.20(Predicted)
• Stability: Stable. Flammable. Incompatible with strong oxidizing agents.
• BRN: 1720340
• CAS DataBase Reference: 1-HEPTEN-3-OL(CAS DataBase Reference)
• NIST Chemistry Reference: 1-HEPTEN-3-OL(4938-52-7)
• EPA Substance Registry System: 1-HEPTEN-3-OL(4938-52-7)

Safety Data

• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39
• RIDADR: UN 1987 3/PG 3
• WGK Germany: 3
• F: 10-23
• TSCA: Yes
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 4938-52-7(Hazardous Substances Data)

Usage

Chemical Properties

Different sources of media describe the Chemical Properties of 4938-52-7 differently. You can refer to the following data:
1. liquid
2. Colorless liquid; green strong aroma at high concentration, but fatty, buttery aroma at low dilution.

Occurrence

Reported found in banana, beer, patchouli oil, China (0.01%), green pepper and red pepper

Uses

1-Hepten-3-ol may be used as an analytical standard for the determination of the analyte in meat products, packaged vegetables, food products, wine, and fruit samples by gas chromatography (GC) based techniques.

Aroma threshold values

High strength odor, green type; recommend smelling in a 1.00% solution or less.

Taste threshold values

Sweet, green, plastic, metallic, weedy taste at 1 ppm in water.

General Description

1-Hepten-3-ol, an allylic alcohol, belongs to the class of volatile organic compounds (VOCs). It is commonly detected as a constituent of Hyacinthus orientalis L. flowers.

InChI:InChI=1/C7H14O/c1-3-5-6-7(8)4-2/h4,7-8H,2-3,5-6H2,1H3/t7-/m1/s1

Upstream product

• 107-02-8 acrolein 
• 937036-43-6 1-butyl-2-propenyl dichloroacetate 
• 625-38-7 but-3-enoic acid 
• 1369493-67-3 hept-1-en-3-yl acrylate 
• 105-38-4 vinyl propionate 
• 1384108-45-5 C₇H₁₃O₄S^(1-)*Na⁽¹⁺⁾ 
• 1384108-71-7 C₇H₁₃O₄S^(1-)*Na⁽¹⁺⁾ 
• 33467-76-4 (E)-hept-2-en-1-ol 
• 104528-17-8 (2R,3R)-(3-butyloxiranyl)methyl alcohol 
• 22104-77-4 hept-2-en-1-ol 
• 1355333-38-8 (2R,3S)-2-butyl-3-(iodomethyl)oxirane 
• 108-05-4 vinyl acetate 
• 693-03-8 n-butyl magnesium bromide 
• 110-62-3 pentanal 

Downstream Products

• 34686-77-6 1-bromo-2-heptene 
• 4938-52-7 (3R)-1-hepten-3-ol 
• 103404-57-5 1,2,3-heptanetriol 
• 106-35-4 heptan-3-one 
• 64-18-6 formic acid 
• 109-52-4 valeric acid 
• 55682-98-9 (-)(R)-3-chloro-heptene-⁽¹⁾ 
• 55682-98-9 (+)(S)-3-chloro-heptene-(1) 
• 4938-52-7 (S)-Hept-1-en-3-ol 
• 54620-75-6 (1-Vinyl-pentyloxymethyl)-benzene 
• 55682-98-9 (+/-)-3-Chloro-1-heptene 
• 68703-33-3 (E)-1-chloro-2-heptene 
• 87433-77-0 trans-5-n-butyl-4-methyl-4,5-dihydro-2(3H)-furanone 
• 89163-43-9 cis-5-n-butyl-4-methyl-4,5-dihydro-2(3H)-furanone 

Relevant articles and documents

A stereospecific synthesis of 2,3-disubstituted tetrahydrofuran derivatives

A stereospecific synthesis of 2,3-difunctionalised tetrahydrofurans via a transmetallation-alkylation sequence of the corresponding 2-(tri-butylstannyl)tetrahydrofurans is described.

Highly Enantioselective Iridium-Catalyzed Coupling Reaction of Vinyl Azides and Racemic Allylic Carbonates

The iridium-catalyzed enantioselective coupling reaction of vinyl azides and allylic electrophiles is presented and provides access to β-chiral carbonyl derivatives. Vinyl azides are used as acetamide enolate or acetonitrile carbanion surrogates, leading to γ,δ-unsaturated β-substituted amides as well as nitriles with excellent enantiomeric excess. These products are readily transformed into chiral N-containing building blocks and pharmaceuticals. A mechanism is proposed to rationalize the chemoselectivity of this coupling reaction.

Access to Saturated Thiocyano-Containing Azaheterocycles via Selenide-Catalyzed Regio-A nd Stereoselective Thiocyanoaminocyclization of Alkenes

An efficient route for the synthesis of saturated thiocyano-containing azaheterocycles by selenide-catalyzed regio-A nd stereoselective thiocyanoaminocyclization of alkenes is disclosed. The desired products were obtained in moderate to high yields under mild conditions. The generality of this method was elucidated by its efficient application in thiocyano oxycyclization of alkenes.