环柠檬烯基丙酮
alpha-Ionone
CAS: 127-41-3;8013-90-9;14901-07-6
Molecular Formula: C13H20O
环柠檬烯基丙酮 - Names and Identifiers
| Name | alpha-Ionone |
| Synonyms | ionone Irisone α-Ionone alpha-Ionone 4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one 4-(2,6,6-trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one (3Z)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one (3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one (3E)-4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one (3E)-4-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one |
| CAS | 127-41-3 8013-90-9 14901-07-6 |
| EINECS | 204-841-6;232-396-8;238-969-9 |
| InChI | InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+/t12-/m0/s1 |
环柠檬烯基丙酮 - Physico-chemical Properties
| Molecular Formula | C13H20O |
| Molar Mass | 192.2973 |
| Density | 0.935g/cm3 |
| Melting Point | 25°C |
| Boling Point | 257.6°C at 760 mmHg |
| Flash Point | 111.9°C |
| Water Solubility | insoluble |
| Solubility | Soluble in methanol, ethanol, DMSO and other organic solvents |
| Vapor Presure | 0.0144mmHg at 25°C |
| Appearance | White crystalline powder |
| Storage Condition | 2-8°C |
| Refractive Index | 1.511 |
| Physical and Chemical Properties | Chemical properties colorless to yellowish liquid. It is warm and has a strong violet aroma. After dilution, it has the aroma of iris root, and then mixed with ethanol, it has a violet aroma. The fragrance is better than p-violet. Boiling point 237 ℃, flash point 115 ℃. Insoluble in water and glycerin, soluble in ethanol, propylene glycol, most non-volatile oils and mineral oils. Natural products exist in acacia oil, osmanthus extract, etc. |
| Use | For the deployment of Daily Chemical, soap flavor |
环柠檬烯基丙酮 - Risk and Safety
| Risk Codes | R42/43 - May cause sensitization by inhalation and skin contact. |
| Safety Description | S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| RTECS | EN0525000 |
| TSCA | Yes |
| HS Code | 29142300 |
环柠檬烯基丙酮 - Upstream Downstream Industry
| Raw Materials | Sodium hydroxide Citral Litsea cubeba oil PSEUDOIONONE |
| Downstream Products | Ionone Carotene |
环柠檬烯基丙酮 - Security information
| toxic substance data | 127-41-3(Hazardous Substances Data) |
Last Update：2024-04-10 22:29:15
环柠檬烯基丙酮 - Nature
| FEMA | 2594 | ALPHA-IONONE |
| solubility | Soluble in ethanol fixed oils, propylene glycol. Slightly soluble in alcohol, ether, mineral oil. |
| JECFA Number | 388 |
| Merck | 14,5056 |
| BRN | 2046084 |
| NIST chemical information | 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-(127-41-3) |
| EPA chemical information | .alpha.-Ionone (127-41-3) |
Last Update：2024-04-09 01:59:50
环柠檬烯基丙酮 - Uses and synthesis methods
introduction
alpha-konone is a colorless or yellow liquid. It has a cedar-like scent. Soluble in ethanol, benzene, chloroform, ether, very slightly soluble in water. Boiling point: 237 ℃; Flash point: 117 ℃, density 0.931. Refractive index (n20D)1.4980. The specific rotation [α]23D +347 °. The maximum absorption wavelength is 228.5nm. & epsilon;14300. Flash point 104 ℃. Low toxicity, half lethal dose (rat, oral) 4590mG/kG. It's irritating.
application
GB2760-96 stipulates that α-konone is a temporarily allowed flavor. Mainly used to prepare longan, raspberry, blackberry, cherry, citrus and other flavors.
identification test
Solubility is insoluble in water and glycerin, soluble in propylene glycol, most non-volatile oils and mineral oils. By OT-42
content analysis
method 1 was analyzed by non-polar column method in GT-10-4 gas chromatography.
method 2 is determined by method 1 in aldehyde and ketone determination method (OT-7). The amount of sample taken is 1.3g, and the equivalent factor (e) in the calculation is 96.15
Toxicity
ADI0 ~ 0.1(FAO/WHO,1994).
LD504590 mg/kg (rat, oral).
use limited
FEMA(mg/kg): soft drink 2.5; Cold drink 3.6; Candy 12; Baked food 6.7; Pudding 3.6; Gum sugar 39; Frosting 50.
Moderate limit (FDA & sect;172.515,2000).
use
1.GB 2760-96 stipulates that it is temporarily allowed to use edible spices. Mainly used to prepare longan, raspberry, blackberry, cherry, citrus and other flavors.
2, used to mix daily chemical and soap essence
production method
Pseudoionone is synthesized from citral (about 70% in Litsea cuba oil) and acetone with the participation of sodium hydroxide, and then heated with dilute sulfuric acid in glycerol solution for cyclization treatment to obtain a mixture of ionone (accounting for 10% ~ 20%) and β-ionone (accounting for 80% ~ 90%) (the mixture is called 100% ionone), and then fractionated.
Last Update：2024-04-09 21:04:16
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View History
Raw Materials for 环柠檬烯基丙酮
Downstream Products for 环柠檬烯基丙酮