Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,5-디메틸벤즈알데히드
2,5-디메틸벤즈알데히드 · Benzaldehyde, 2,5-dimethyl- · 25 DMB · Isoxylaldehyde · TIMTEC-BB SBB008435 · 2,5-DIMETHYLBENZALDEHYDE · 2,5-Dimethylbenzaldehyde-98% · 2,5-Dimethylbenzaldehyde,95%
식별자 및 물리적 특성
| CAS No. | 5779-94-2 |
|---|---|
| 분자식 | C9H10O |
| 평균 분자량 | 134.17 g/mol |
| 단동위원소 질량 | 134.07316494 g/mol |
| SMILES | Cc1ccc(C)c(C=O)c1 |
| InChIKey | SMUVABOERCFKRW-UHFFFAOYSA-N |
| PubChem CID | 22015 |
| ChEBI | CHEBI:173203 |
| EC No. | 227-303-2 |
| DTXSID | DTXSID0075449 |
| 현지명 | 2,5-디메틸벤즈알데히드 |
화학 및 물리적 성질
| XLogP | 2.1 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 120 |
| Physical Description | Colorless to yellow liquid[MSDSonline] |
| Kovats Retention Index | 1154115911371208170516801683 |
| 끓는 점 | 104.5-106.5 °C/14 mmHg (lit.) |
| 밀도 | 0.95 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.544(lit.) |
| 인화점 | 190 °F |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| 용해도 | 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨) |
| 물리적 상태 | 기름 |
| 색상 | 무색 |
| 비중 | 0.95 |
| 용해도 | 물과 섞이지 않습니다. |
| BRN | 1927303 |
| InChI | 1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3 |
| InChIKey | SMUVABOERCFKRW-UHFFFAOYSA-N |
| SMILES | Cc1ccc(C)c(C=O)c1 |
| LogP(분배 계수) | 2.560 (est) |
| NIST | Benzaldehyde, 2,5-dimethyl-(5779-94-2) |
| EPA | 2,5-Dimethylbenzaldehyde (5779-94-2) |
화학적 성질
CLEAR COLORLESS TO VERY SLIGHTLY YELLOW LIQUID
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.WarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.There is 1 notification provided by 1 of 4 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: Benzaldehyde, 2,5-dimethyl- |
| 유해성 요약 | May cause irritation[MSDSonline] See ALDEHYDES. |
| Hazard Classes and Categories | Acute Tox. 4 (25%)Skin Irrit. 2 (25%)Eye Irrit. 2A (25%)STOT SE 3 (25%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29122990 |
| 안전 문구(S) | 24/25 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
2,5-Dimethylbenzaldehyde is useful for building asymmetric top molecules. 2,5-DMBA has also been used to analyze vehicle carbon emissions.
일반 설명
The LD vehicle′s emmision factor for 2,5-dimethylbenzaldehyde was studied.