ChemicalBook--->CAS DataBase List--->4117-10-6

4117-10-6

4117-10-6 Structure

4117-10-6 Structure
IdentificationBack Directory
[Name]

6-HEPTEN-1-OL
[CAS]

4117-10-6
[Synonyms]

6-HEPTEN-1-OL
hept-6-en-1-ol
HEPTEN(6-)-1-OL
6-Hepten-1-ol>
6-HEPTEN-1-OL, 96+%
6-HEPTEN-1-OL ISO 9001:2015 REACH
[Molecular Formula]

C7H14O
[MDL Number]

MFCD00229167
[MOL File]

4117-10-6.mol
[Molecular Weight]

114.19
Chemical PropertiesBack Directory
[Melting point ]

26°C (estimate)
[Boiling point ]

113 °C / 69mmHg
[density ]

0,85 g/cm3
[refractive index ]

1.4380 to 1.4420
[form ]

clear liquid
[pka]

15.19±0.10(Predicted)
[color ]

Colorless to Almost colorless
[InChI]

InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h2,8H,1,3-7H2
[InChIKey]

UFULDTPDHIRNGS-UHFFFAOYSA-N
[SMILES]

C(O)CCCCC=C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P
[Risk Statements ]

10
[Safety Statements ]

16
[RIDADR ]

1987
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

2905299090
Hazard InformationBack Directory
[Uses]

6-Hepten-1-ol has a floral and green odor and is commonly used as a flavoring agent in the food and beverage industry. In addition, it can be used as an intermediate in the synthesis of various organic compounds, including fragrances, pharmaceuticals, and agrochemicals. Its unique chemical properties make it an important ingredient in a variety of industrial processes, notably in the production of perfumes, air fresheners and cleaning agents.
[Industrial uses]

6-Hepten-1-ol is used as a flavoring agent in the food and beverage industry. Its fruity and pear-like aroma makes it suitable for creating or enhancing the taste of various fruit-flavored products, such as beverages, confectionery, and ice cream.
[Synthesis]

4-Bromo-1-butanol (15.3g,0.1mol) was dissolved in 100ml of anhydrous tetrahydrofuran, anhydrous tetrahydrofuran solution of allylmagnesium chloride (0.25mol,250ml,1M) and lithium tetrachlorocopperate (10mmol,0.2mol/L,50ml) were added dropwise at 0℃, the r
Spectrum DetailBack Directory
[Spectrum Detail]

6-HEPTEN-1-OL(4117-10-6)MS
6-HEPTEN-1-OL(4117-10-6)1HNMR
6-HEPTEN-1-OL(4117-10-6)13CNMR
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