CAS Number23726-91-2
Synonyms(2E)-1-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-2-en-1-one; (E)-b-Damascone; 4-(2.6.6-Trimethyl cyclohex-1-enyl)-but-2-en-4-one; Damascone; (2E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-on; (2E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one; (2E)-1-(2,6,6-Triméthyl-1-cyclohexén-1-yl)-2-butén-1-one; trans-2,6,6-Trimethyl-1-crotonylcyclohex-1-ene; trans-b-Damascone; b-Damascone; β-Damascone
Molecular FormulaC13H20O
Molecular Weight192.30
Density0.9±0.1 g/cm3
Boiling Point271.2±10.0 °C at 760 mmHg
AppearanceLight yellow transparent liquid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 23726-91-2 |
| Catalog No. | 2A-9091808 |
| Chinese Name | 大马酮 |
| Synonyms | (2E)-1-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-2-en-1-one; (E)-b-Damascone; 4-(2.6.6-Trimethyl cyclohex-1-enyl)-but-2-en-4-one; Damascone; (2E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-on; (2E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one; (2E)-1-(2,6,6-Triméthyl-1-cyclohexén-1-yl)-2-butén-1-one; trans-2,6,6-Trimethyl-1-crotonylcyclohex-1-ene; trans-b-Damascone; b-Damascone; β-Damascone |
| Molecular Formula | C13H20O |
| Molecular Weight | 192.30 |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 271.2±10.0 °C at 760 mmHg |
| Appearance | Light yellow transparent liquid |
| Storage Condition | 2-8°C |
| Application | β-Damascenone is an aroma-active rice volatile that is widely used in perfume ingredients. β-Damascenone has also received some attention as a potential cancer chemopreventive agent as well as mosquit |
| HTC | 29142990 |
| PubChem ID | 10537044 |
| SMILES | CC=CC(=O)C1=C(C)CCCC1(C)C |
| InChI | InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+ |
| InChI Key | BGTBFNDXYDYBEY-FNORWQNLSA-N |
| Hazard Symbols | transportation |
| Bioactivity | β-Damascone is an aroma active rice volatile and is widely used in perfume compositions. β-Damascone has also received certain attention as a potential cancer chemopreventive and a mosquito and muscoid insecticide[1][2]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others In Vitro CYP101C1 is capable of binding and hydroxylating ionone derivatives including α- and β-ionone and β-damascone[3]. Several of the key flavor compounds in rose essential oil are C13-norisoprenoids, such asβ-damascenone, β-Damascone, and β-ionone which are derived from carotenoid degradation[4]. References [1]. Mahattanatawee K, et al. Comparison of aroma active and sulfur volatiles in three fragrant rice cultivars using GC-olfactometry and GC-PFPD. Food Chem. 2014;154:1-6. [2]. Gabryś B, et al. Systemic deterrence of aphid probing and feeding by novel β-damascone analogues. J Pest Sci (2004). 2015;88(3):507-516. [3]. Ma M, et al. Structural Analysis of CYP101C1 from Novosphingobium aromaticivorans DSM12444. Chembiochem. 2011;12(1):88-99. Chemical & Physical Properties Density 0.9±0.1 g/cm3 Boiling Point 271.2±10.0 °C at 760 mmHg Molecular Formula C13H20O Molecular Weight 192.297 Flash Point 108.0±14.0 °C Exact Mass 192.151413 PSA 17.07000 LogP 4.40 Vapour Pressure 0.0±0.6 mmHg at 25°C Index of Refraction 1.476 InChIKey BGTBFNDXYDYBEY-FNORWQNLSA-N SMILES CC=CC(=O)C1=C(C)CCCC1(C)C Storage condition 2-8°C |
| Use of | β-Damascone is an aroma active rice volatile and is widely used in perfume compositions. β-Damascone has also received certain attention as a potential cancer chemopreventive and a mosquito and muscoid insecticide[1][2]. Properties Name β-Damascone Synonym More Synonyms Damascone Biological Activity Description β-Damascone is an aroma active rice volatile and is widely used in perfume compositions. β-Damascone has also received certain attention as a potential cancer chemopreventive and a mosquito and muscoid insecticide[1][2]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Mahattanatawee K, et al. Comparison of aroma active and sulfur volatiles in three fragrant rice cultivars using GC-olfactometry and GC-PFPD. Food Chem. 2014;154:1-6. [2]. Gabryś B, et al. Systemic deterrence of aphid probing and feeding by novel β-damascone analogues. J Pest Sci (2004). 2015;88(3):507-516. Chemical & Physical Properties Molecular Formula C13H20O Exact Mass 192.151413 PSA 17.07000 Index of Refraction 1.476 InChIKey BGTBFNDXYDYBEY-FNORWQNLSA-N SMILES CC=CC(=O)C1=C(C)CCCC1(C)C |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available The above information is believed to be correct, but is not all-inclusive and should be used as a guide only. The information in this document is based on our current knowledge and is Correct safety instructions apply to this product. This information does not represent a warranty as to the properties of this product. See reverse side of invoice or packing slip. |
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