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CIS-2-HEXEN-1-OL

CAS：928-94-9
MW:100.161
MF：C6H12O

CIS-2-HEXEN-1-OL, with the chemical formula C6H12O and CAS registry number 928-94-9, is a compound known for its applications in various industries. This colorless liquid, also referred to as cis-2-hexenol, is characterized by its double bond and hydroxyl functional groups. It is commonly used as a flavoring agent in food and beverages, providing a fresh and green aroma. CIS-2-HEXEN-1-OL is also utilized in the production of perfumes and fragrances, adding a natural and grassy scent. Additionally, it serves as a precursor in the synthesis of other compounds, contributing to the development of various products. Overall, CIS-2-HEXEN-1-OL plays a significant role in enhancing sensory experiences and enabling the creation of diverse consumer goods.

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Names and ldentifier
Properties
Use and Manufacturing
Msds
NMR Spectrum
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: CIS-2-HEXEN-1-OL

1.2 Synonyms: (2Z)-2-Hexen-1-ol; (Z)-1-Hydroxy-2-hexene; (z)-2-hexen-1-o; (Z)-2-Hexen-1-ol; (Z)-2-hexenol; (Z)-hex-2-en-1-ol; 2-Hexen-1-ol, (2Z)-; 2-Hexen-1-ol, (Z)-; CIS-1-HYDROXY-2-HEXENE; CIS-2-HEXEN-1-OL; cis-2-Hexenol; cis-β,γ-Hexenol; EINECS 213-190-7; FEMA 3924; MFCD00063209;

1.3 CAS No.: 928-94-9

1.4 CID: 5324489

1.5 EINECS: 213-190-7

1.6 Molecular Formula: C6H12O

1.7 Inchi: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4-

1.8 InChkey: ZCHHRLHTBGRGOT-PLNGDYQASA-N

1.9 Canonical Smiles: CCCC=CCO

1.10 Isomers Smiles: CCC/C=C\CO

2. Properties

2.1 Vapour pressure: >1 (vs air)

2.2 Solubility: 略溶 (14 g/L) (25 oC),

2.3 VaporDensity: >1 (vs air)

2.4 Appearance: Colourless liquid; Green aroma

2.5 Storage: Ambient temperatures.

2.6 Chemical Properties: colourless liquid

2.7 pKa: 14.45±0.10(Predicted)

2.8 Water Solubility: Soluble in fats; Insoluble in water

2.9 Stability: Stable. Flammable. Incompatible with strong oxidizing agents, strong acids.

2.10 StorageTemp: Flammables area

3. Use and Manufacturing

3.1 Description

CIS-2-HEXEN-1-OL, with the chemical formula C6H12O, has the CAS number 928-94-9. It appears as a colorless liquid with a fresh, green odor. The basic structure of CIS-2-HEXEN-1-OL consists of a hexane chain with a hydroxyl group attached to the second carbon atom. This compound is slightly soluble in water. CIS-2-HEXEN-1-OL is considered to be a relatively safe chemical, but it should still be handled with care. It may cause irritation to the skin and eyes, and inhalation of its vapors may cause respiratory irritation. It is important to use proper protective equipment when working with CIS-2-HEXEN-1-OL. In case of ingestion, medical attention should be sought immediately.

Applicable Fields

Fragrance: CIS-2-HEXEN-1-OL is commonly used in the fragrance industry. Its purpose in this field is to provide a fresh, green scent to various products. The mechanism of action in fragrance involves the interaction of CIS-2-HEXEN-1-OL with olfactory receptors in the nose, resulting in the perception of a specific scent.

Flavoring: This compound is also used as a flavoring agent in the food industry. Its purpose in this field is to add a fresh, green taste to certain food products. The mechanism of action in flavoring involves the interaction of CIS-2-HEXEN-1-OL with taste receptors on the tongue, enhancing the perception of a specific flavor.

Storage

Conditions: Store in a cool and dry place, away from direct sunlight.

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3.2 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 92 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 65 of 92 companies. For more detailed information, please visit ECHA C&L website

Of the 3 notification(s) provided by 27 of 92 companies with hazard statement code(s):

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H319 (88.89%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P264, P280, P303+P361+P353, P305+P351+P338, P337+P313, P370+P378, P403+P235, and P501

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4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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5. NMR Spectrum

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

IR : liquid film

Raman : 4880 A,200 M,liquid

Mass

Mass spectrum (electron ionization)

6. Synthesis Route

928-94-9Total: 11 Synthesis Route

764-60-3 27 Suppliers

928-94-9 23 Suppliers

925-90-6 122 Suppliers

928-94-9 23 Suppliers

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7. Precursor and Product

precursor:

925-90-6

4798-44-1

557-20-0

592-41-6

930-22-3

764-60-3

1092696-25-7

7045-86-5

66703-02-4

product:

505-57-7

95351-72-7

66-25-1

69977-24-8

562870-83-1

6064-27-3

6728-26-3

56904-85-9

115977-54-3

273928-94-2

8. Computed Properties

Molecular Weight：100.161g/mol
Molecular Formula：C₆H₁₂O
Compound Is Canonicalized：True
Exact Mass：1.4
XLogP3-AA：100.088815002
Monoisotopic Mass：100.088815002
Complexity：48.1
Rotatable Bond Count：3
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：20.2
Heavy Atom Count：：7
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：1
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgCAACBCAAAAAAAgAAAICAAAAAgAFAAAAQAAEAAAgAAIEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9. Toltal 22 Suppliers View more

Dayang Chem (Hangzhou) Co., Ltd.

^1YR

Tel: Update Time:2024/06/17

inquire

Hangzhou ZeErRui Chemical Co., Ltd.

^1YR

Tel: Update Time:2024/03/12

inquire

Shanghai Forever Synthesis Co.,Ltd.

Tel: Update Time:2019/06/12

inquire

TCI (Shanghai) Development Co., Ltd.

Tel: Update Time:2019/11/26

inquire

Hangzhou Yunuo Chemical Co.,Ltd

Tel: Update Time:2019/02/25

inquire

10. Realated Product Infomation