9-DECEN-1-OL

Iupac Name：dec-9-en-1-ol

Molecular Weight：156.2652

Modify Date.: 2022-11-22 18:02

Introduction:

colourless liquid 9-Decen-1 (cipher)-ol has been identified as a trace constituent of cognac. It is a colorless liquid with a fresh, dewy, rose note that can be prepared by partial dehydration of 1,10-decanediol. It is used in rosy, floral soap perfumes.

9-Decen-1-ol is an aliphatic alcohol.

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1. Names and Identifiers

1.1 Name: 9-DECEN-1-OL
1.2 Synonyms: 1-Decen-10-ol 9-Decenol 9-Decenyl alcohol Dec-9-en-1-ol Decylenic alcohol decylenicalcohol EINECS 235-878-6 MFCD00002992 omega-Decen-1-ol omega-Decenol ROSALVA

1.3 CAS No.: 13019-22-2

1.4 CID: 25612

1.5 EINECS(EC#): 235-878-6

1.6 Molecular Formula: C10H20O (isomer)

1.7 Inchi: InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h2,11H,1,3-10H2

1.8 InChkey: QGFSQVPRCWJZQK-UHFFFAOYSA-N

1.9 Canonical Smiles: C=CCCCCCCCCO

1.10 Isomers Smiles: C=CCCCCCCCCO

2. Properties

2.1 Density: 0.87

2.1 Melting point: -13℃

2.1 Boiling point: 234-238℃

2.1 Refractive index: n20/D 1.447(lit.)

2.1 Flash Point: 98℃

2.1 Precise Quality: 156.15100

2.1 PSA: 20.23000

2.1 logP: 2.89540

2.1 Appearance: Orange-red to red Liquid

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: colourless liquid

2.4 Color/Form: Orange-red to red

2.5 pKa: 15.20±0.10(Predicted)

2.6 Water Solubility: Soluble in water at 20°C 0.16g/L. Soluble in alcohol, dipropylene glycol, paraffin oil.

2.7 Stability: Stable. Combustible. Incompatible with strong oxidizing agents.

3. Safety and Handling

3.1 Hazard Codes: Xi

3.1 Risk Statements: R36/37/38

3.1 Safety Statements: S24/25

3.1 Hazard Declaration: H315

3.1 Caution Statement: P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

3.1 WGK Germany: 2

3.1 RTECS: HE2095000

3.1 Report: Reported in EPA TSCA Inventory.

3.2 Safety: A skin irritant. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S..
Hazard Note: Irritant
Hazard Codes: Xi
Risk Statements:
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing

3.3 Specification: 9-Decen-1-OL (13019-22-2) also can be called omega-Decenol ; .omega.-Decen-1-ol ; .omega.-Decenol ; Anapterin and Decylenic alcohol .It is hazardous,so the first aid measures and others should be known.Such as: When on the skin: should flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing.Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids..While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Then you have the ingesting of the product : Do not induce vomiting.If victim is conscious and alert, give 2-4 cupfuls of milk or water.
In addition, 9-Decen-1-OL (13019-22-2) can be stable under normal temperature and pressure conditions.It is not compatible with strong oxidizing agents, and you must not take it with incompatible materials.And also prevent it to broken down into hazardous decomposition products: irritating and toxic fumes and gases, carbon dioxide, carbon monoxide.

3.4 Toxicity

skn-rbt 100%

FCTXAV Food and Cosmetics Toxicology. 12 (1974),405.

Carcinogenicity of 9-Decen-1-OL (13019-22-2) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. You can see actual entry in RTECS for complete information.

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
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 : 90 MHz in CDCl3

IR : liquid film

Mass

6. Synthesis Route

13019-22-2Total: 5 Synthesis Route

112-47-0 133 Suppliers

13019-22-2 43 Suppliers

4101-68-2 117 Suppliers

Literatures:
Spaccini, Raffaele; Tsoukala, Anna; Liguori, Lucia; Punta, Carlo; Borsvik, Hans-Rene Organic Process Research and Development, 2010 , vol. 14, # 5 p. 1215 - 1220
Yield: null

3669-80-5 10 Suppliers

112-30-1 159 Suppliers

13019-22-2 43 Suppliers

7735-43-5

Literatures:
Acta Chemica Scandinavica, , vol. 52, # 6 p. 672 - 682
Yield: null

1647-16-1 28 Suppliers

112-47-0 133 Suppliers

112-30-1 159 Suppliers

13019-22-2 43 Suppliers

76501-46-7

Literatures:
Tetrahedron Letters, , vol. 42, # 5 p. 785 - 787
Yield: ~16%

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7. Other Information

7.0 Chemical Properties: 9-Decen-1 (cipher)-ol has been identified as a trace constituent of cognac. It is a colorless liquid with a fresh, dewy, rose note that can be prepared by partial dehydration of 1,10-decanediol. It is used in rosy, floral soap perfumes.

7.1 Occurrence: Apparently has not been reported to occur in nature.

7.2 Uses: 9-Decen-1-ol was used in the preparation of semifluorinated acids required for the synthesis of poly(styrene-b-semifluorinated isoprene) block copolymers with -CF₂H-terminated side groups.

7.3 BRN: 1750928

7.4 Chemical Properties: colourless liquid

7.5 Manufacturing Info: 9-Decen-1-ol: ACTIVE

7.6 Use Classification: EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues|Food additives -> Flavoring Agents

7.7 Usage: It finds it uses in a wide range of fragrances, especially in fine fragrances and soaps, in floral, rose petal or herbal fragrances. 9-Decen-1-ol is used in the preparation of semifluorinated acids required for the synthesis of poly(styrene-b-semi fluorinated isoprene) block copolymers with -CF2H-terminated side groups.

8. Computational chemical data

Molecular Weight: 156.2652g/mol
Molecular Formula: C₁₀H₂₀O
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 156.151415257
Monoisotopic Mass: 156.151415257
Complexity: 78.9
Rotatable Bond Count: 8
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 20.2
Heavy Atom Count: 11
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAIAAAAAAgCAACBCAAAAAAAgAAAIAAAAAAgAEAIAAQAAQAAEgAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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9-Decen-1-ol CAS 13019-22-2