79-77-6
beta-ionone
CAS: 79-77-6
Molecular Formula: C13H20O
79-77-6 - Names and Identifiers
| Name | beta-ionone |
| Synonyms | β-Lonone Aids032326 Aids-032326 beta-ionone (E)-β-Ionoine IONONE, BETA-(SG) 4-(2,6,6-Trimethyl-1 (E)-1-(2,6,6-Trimethyl-1-cyclohexenyl)-1-butene-3-one β-Ionone,4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one |
| CAS | 79-77-6 |
| EINECS | 201-224-3 |
| InChI | InChI=1/C13H20O/c1-10-6-5-7-12(13(10,3)4)9-8-11(2)14/h7-10H,5-6H2,1-4H3/b9-8+/t10-/m1/s1 |
79-77-6 - Physico-chemical Properties
| Molecular Formula | C13H20O |
| Molar Mass | 192.30 |
| Density | 0.945 |
| Melting Point | -49°C |
| Boling Point | 126-128℃ (12 mmHg) |
| Flash Point | >110℃ |
| Vapor Presure | <1 hPa (25 °C) |
| Appearance | Transparent liquid |
| Storage Condition | 2-8℃ |
| Refractive Index | 1.52 |
| MDL | MFCD00001549 |
| Physical and Chemical Properties | Chemical properties light yellow to colorless liquid, with violet fragrance. Soluble in ethanol, ether, propylene glycol, insoluble in water and glycerin. |
| Use | 1, GB 2760 a 96 provisions for the temporary use of edible spices. Mainly used in the preparation of raspberry, strawberry, BlackBerry, cherry, grape, pineapple flavor. 2, used in daily chemicals, food flavor, a large number of used in the production of vitamin A, E and carotene |
79-77-6 - Risk and Safety
| Hazard Symbols | Xi - Irritant N - Dangerous for the environment  |
| Risk Codes | R36 - Irritating to the eyes R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN 3082 |
79-77-6 - Upstream Downstream Industry
79-77-6 - Reference
| Reference Show more | 1. [IF=4.952] Liuyang Ren et al."Characterization of key off-odor compounds in thermal duck egg gels by GC-olfactometry-MS, odor activity values, and aroma recombination."Lwt Food Sci Technol. 2021 May;143:111182 2. [IF=0.986] Chang Yuexing et al."Effects of Different Drying Methods on the Contents of Nine Components and Immunomodulatory Activities of Four Components in Osmamthus fragrans Flowers:."Nat Prod Commun. 2021;16(2): |
79-77-6 - Nature
Open Data Verified Data
light yellow to colorless liquid. With violet flavor, soluble in ethanol, ether, propylene glycol, insoluble in water and glycerin. The relative density was 0.945. Boiling point 140 ℃(2. 4kPa);126~128 ℃(1.6kPa). Refractive index 1. 5205.
Last Update：2024-01-02 23:10:35
79-77-6 - Safety
Open Data Verified Data
- low toxicity. A large number of long-term contact, inhalation or swallowing of this product, can cause allergic reactions. No operator has been found in the production operation of serious poisoning. Protective equipment shall be worn according to the requirements of production and operation.
- packed in galvanized iron drum with a net weight of 30kg per drum. Store in a cool, ventilated, dry place. Fire, moisture, sun protection. According to the general provisions of the storage and transportation of chemicals.
Last Update：2022-01-01 10:38:50
79-77-6 - Nature
| FEMA | 2595 | BETA-IONONE |
| flash point | 230 °F |
| storage conditions | Store below 30°C. |
| solubility | 0.11g/l insoluble |
| water solubility | Soluble in water (0.11 mg/mI at 20°C). |
| JECFA Number | 389 |
| Merck | 14,5056 |
| BRN | 1909544 |
| InChIKey | PSQYTAPXSHCGMF-BQYQJAHWSA-N |
| NIST chemical information | 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-(79-77-6) |
| EPA chemical information | .beta.-Ionone (79-77-6) |
Last Update：2024-04-10 22:29:15
79-77-6 - Uses and synthesis methods
traits
β-violet is a pale yellow liquid.
use
β-violet ketone can be used in daily necessities such as daily chemical essence and beauty products.
content analysis
method 1 is analyzed by non-polar column in gas chromatography (GT-10-4).
method 2 is carried out according to method 1 in aldehyde and ketone determination method (OT-7). The amount of sample taken is 1.3g. The equivalent factor (e) in the calculation is 96.15.
Toxicity
Adl 0~0.1(FAO/WHO,1994).
LD50 4590 (rat, oral).
use limited
FEMA(mg/kg): soft drink 1.6; Cold drink 3.4; Candy 7.6; Baked food 5.2; Pudding 5.8; Gum sugar 89; Maras golden cherry 10.
Moderate limit (FDA & sect;172.515,2000).
production method
It is obtained by condensation of citral and acetone with potassium hydroxide as a condensing agent and then cyring with dilute sulfuric acid into a mixture of α-and β-violet ketone, which is then fractionated.
Last Update：2024-04-10 22:29:15
79-77-6 - Security information
| WGK Germany | 2 |
| RTECS number | EN0500000 |
| TSCA | Yes |
| customs code | 2914 23 00 |
| Toxicity | LD50 orally in Rabbit: 2920 mg/kg |
Last Update：2024-04-09 20:48:19
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View History
Raw Materials for 79-77-6
Citral
Ionone
2-Propenamide, N-methoxy-N-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-
2-Methyl-2-[(E)-2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethenyl]-1,3-diox olane
Methylmagnesium Bromide
PSEUDOIONONE
Ionone
2-Propenamide, N-methoxy-N-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-
2-Methyl-2-[(E)-2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethenyl]-1,3-diox olane
Methylmagnesium Bromide
PSEUDOIONONE
Downstream Products for 79-77-6
2,2,6-TRIMETHYLCYCLOHEXANONE
Beta-Damascone
(E)-2,4,4-trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one
4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-buten-2-one
Boronal
Beta-Damascone
(E)-2,4,4-trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one
4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-buten-2-one
Boronal