2,2-디메폭시프로판
2,2-다이메톡시프로페인 · 2,2-디메톡시프로판 · 2,2-디메폭시프로판 · ACETONE DIMETHYL ACETAL · Propane, 2,2-dimethoxy- · 2,2-Dimethyoxypropane · DMP)2,2-DiMethoxy · Acetone dimethyl acetal, DMP
식별자 및 물리적 특성
| CAS No. | 77-76-9 |
|---|---|
| 분자식 | C5H12O2 |
| 평균 분자량 | 104.15 g/mol |
| 단동위원소 질량 | 104.08372962 g/mol |
| SMILES | COC(C)(C)OC |
| InChIKey | HEWZVZIVELJPQZ-UHFFFAOYSA-N |
| PubChem CID | 6495 |
| ChEMBL | CHEMBL3184215 |
| EC No. | 201-056-0 |
| DTXSID | DTXSID7026441 |
| 현지명 | 2,2-디메폭시프로판 |
화학 및 물리적 성질
| XLogP | 0.6 |
|---|---|
| 극성 표면적 | 18.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 44 |
| 밀도 | 0.847 @25 °C0.847 g/mL at 25 °C (lit.) |
| 끓는 점 | 83 °C @760 [mm Hg]83 °C (lit.) |
| 녹는점 | -47 °C |
| Physical Description | Clear colorless liquid[MSDSonline] |
| Kovats Retention Index | 638615616620627 |
| 증기 밀도 | 3.59 (vs air) |
| 증기압 | 60 mm Hg ( 15.8 °C) |
| 굴절률 | n20/D 1.378(lit.) |
| 인화점 | 12 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | 180g/L |
| 물리적 상태 | 액체 |
| 비중 | 0.852 (20/4℃) |
| 색상 | 무색의 |
| 폭발한계 | 31%, 58°F |
| 용해도 | 18g/100mL(25℃) |
| BRN | 635678 |
| 헨리 상수 | 1.4×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| 안정성 | 안정적인. 인화성이 높으며 인화점이 낮습니다. 증기는 공기와 폭발성 혼합물을 형성할 수 있습니다. 공기에 노출되면 폭발성 과산화물을 형성할 수 있습니다. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3 |
| InChIKey | HEWZVZIVELJPQZ-UHFFFAOYSA-N |
| SMILES | COC(C)(C)OC |
| 표면장력 | 21.46mN/m at 298.15K |
| NIST | 2,2-Dimethoxypropane(77-76-9) |
| EPA | Propane, 2,2-dimethoxy- (77-76-9) |
화학적 성질
colourless liquid; B.P. 83℃. Ethereal odor. Soluble in alcohol, miscible with ess, oils and perfume chemicals. Stable when pure and at room temp. Decomposes into Acetone and Methanol during heating in presence of moisture or traces of mineral acid. Presumably not used in flavors. Rarely used in perfumes - for ethereal top-notes and "alcohol-like" effects. Produced synthetically via orthoformic ester or vinyl ether. Also from formiminomethyl-ether hydrochloride.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 2.3% (5 of 222) of reports.DangerH225 (97.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]H315 (59%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (10.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 222 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 5 of 222 reports by companies.There are 21 notifications provided by 217 of 222 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Propane, 2,2-dimethoxy-Status: Active Update: 28-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7384Status: Active Update: 24-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/158992,2-Dimethoxypropane: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | An eye irritant[eChemPortal: ERMA] An irritant[MSDSonline] |
| Peroxide Forming Chemical | 2,2-DimethoxypropaneD*: Other compounds that may form peroxides2 samples had 3-10 ppm peroxideage >1 yrsManagement of time-sensitive chemicals (JCHAS) |
| Hazard Classes and Categories | Flam. Liq. 2 (97.7%)Skin Irrit. 2 (59%)Eye Irrit. 2A (97.3%)STOT SE 3 (10.4%) |
| Protective Action Criteria (PAC) | 2.8 [ppm]31 [ppm]190 [ppm] |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 1993 3/PG 2 |
| 독성 | LD50 orally in Rabbit: > 2260 mg/kg LD50 dermal Rat > 2100 mg/kg |
| 관세 코드 | 29110000 |
| 위험 문구(R) | 11-36-36/37/38 |
| 위험 표시 | F,Xi |
| 안전 문구(S) | 26-9-37/39-33-16-33,37/39 |
| 포장분류 | II |
| 위험 등급 | 3Eye Irrit. 2Flam. Liq. 2 |
| 기존화학 물질 | KE-11095 |
| F 고인화성물질 | 10-21 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
2,2-Dimethoxypropane(DMP) is used in histology and considered to be more efficient than ethanol for the dehydration of animal tissue.
일반 설명
2,2-Dimethoxypropane is an organic compound, which may be used as a protecting agent in the process of the synthesis of structurally related alkaloids like narciclasine and lycoricidine using phenylbromide as the starting material.