Introduction：Basic information about CAS 23726-91-2|Damascone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Damascone |
|---|
| CAS Number | 23726-91-2 | Molecular Weight | 192.297 |
|---|
| Density | 0.9±0.1 g/cm3 | Boiling Point | 271.2±10.0 °C at 760 mmHg |
|---|
| Molecular Formula | C13H20O | Melting Point | / |
|---|
| MSDS | ChineseUSA | Flash Point | 108.0±14.0 °C |
|---|
| Symbol |
GHS07 | Signal Word | Warning |
|---|
Names
| Name | β-Damascone |
|---|
| Synonym | More Synonyms |
|---|
Damascone BiologicalActivity
| 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 >>OthersSignaling 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 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EN0340000
- CHEMICAL NAME :
- 2-Buten-1-one, 1-(2,6,6-trimethylcyclohex-1-enyl)-, (E)-
- CAS REGISTRY NUMBER :
- 23726-91-2
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C13-H20-O
- MOLECULAR WEIGHT :
- 192.33
- WISWESSER LINE NOTATION :
- L6UTJ A1 BV1U2 C1 C1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2920 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,487,1975
|
Safety Information
| Symbol |
GHS07 |
|---|
| Signal Word | Warning |
|---|
| Hazard Statements | H317 |
|---|
| Precautionary Statements | P280 |
|---|
| Hazard Codes | Xi: Irritant; |
|---|
| Risk Phrases | R43 |
|---|
| Safety Phrases | 36/37 |
|---|
| RIDADR | NONH for all modes of transport |
|---|
| WGK Germany | 2 |
|---|
| RTECS | EN0340000 |
|---|
| HS Code | 29142990 |
|---|
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 |
| 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)- |
| b-Damascone |
| β-Damascone |
