아세트알데히드
알데히드 · 에탄알 · 초산알데히드 · 아세트알데하이드 · 아세트알데히드 · 에틸알데히드 · 아세트산알데히드 · Ethanal
식별자 및 물리적 특성
| CAS No. | 75-07-0 |
|---|---|
| 분자식 | C2H4O |
| 평균 분자량 | 44.05 g/mol |
| 단동위원소 질량 | 44.02621475 g/mol |
| SMILES | CC=O |
| InChIKey | IKHGUXGNUITLKF-UHFFFAOYSA-N |
| PubChem CID | 177 |
| ChEMBL | CHEMBL170365 |
| ChEBI | CHEBI:15343 |
| EC No. | 200-836-8 |
| DTXSID | DTXSID5039224 |
| 현지명 | 아세트알데히드 |
화학 및 물리적 성질
| XLogP | -0.3 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 3 |
| 형식 전하 | 0 |
| 복잡도 | 10.3 |
| 물질 분류 | Hazardous Air Pollutants (HAPs)Urban Hazardous Air Pollutants (HAPs) - EPA specified greatest potential health threat in urban areasOther Classes -> AldehydesCarcinogens |
| 화장품 | Cosmetics ingredient -> FlavorFragranceOther (Specify)Nail conditioning |
| SpringerMaterials Properties | Coriolis coupling |
| 향료 | Fragrance Ingredient (Acetaldehyde) -> IFRA transparency List |
| 농약 | Pesticide -> EPA IRIS |
| LogP(분배 계수) | log Kow = -0.340.63 |
| 냄새 | Pungent, fruity odorPungent, suffocating odor that is somewhat fruity and quite pleasant in dilute concentrations.0.0068~1000ppm(평균 = 0.067ppm)에서 감지 가능한 톡 쏘는 과일 향 |
| 맛 | Tart taste (fruits containing acetaldehyde before ripening) |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.78 at 68 °F (USCG, 1999) - Less dense than waterwill float0.7834 g/cu cm at 18 °CRelative density (water = 1): 0.780.804-0.811(0 °C/20 °C)0.790.784 @ 20°C0.785 g/mL at 25 °C (lit.) |
| 향미제 | EU Flavoring substances |
| Viscosity | 0.253 mPa s at 9.5 °C0.21 mPa s at 20 °C |
| 녹는점 | -125 °C (lit.) |
| 끓는 점 | 21 °C (lit.) |
| 증기 밀도 | 1.03 (vs air) |
| 증기압 | 52 mm Hg ( 37 °C) |
| 굴절률 | n20/D 1.377 |
| FEMA | 2003 | ACETALDEHYDE |
| 인화점 | 133 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 알코올: 용해성 |
| pKa(산도 계수) | 13.57(at 25℃) |
| 물리적 상태 | 액체 |
| 색상 | 흰색에서 황백색까지 |
| 비중 | 0.823 (20/4℃) (90% Soln.) |
| pH | 5 (10g/l, H2O, 20℃) |
| 폭발한계 | 4-57%(V) |
| 후각 역치 | 0.0015ppm |
| 향취 유형 | 미묘한 |
| 생물학적 소스 | synthetic |
| 용해도 | > 500g/L(20℃) |
| JECFA Number | 80 |
| Merck | 14,39 |
| BRN | 505984 |
| 헨리 상수 | 7.69 at 25 °C (Snider and Dawson, 1985:Benkelberg et al., 1995) |
| 유전율 | 21.8(5℃) |
| 안정성 | Stable, but air sensitive. Substances to be avoided include strong oxidizing agents, strong acids, reducing agents, alkalies, halogens, halogen oxides. Highly flammable. Vapour/air mixtures explosive over a very wide concentration range. May form peroxides in storage. |
| 화장품 원료 기능 | 향기 |
| InChI | 1S/C2H4O/c1-2-3/h2H,1H3 |
| InChIKey | IKHGUXGNUITLKF-UHFFFAOYSA-N |
| SMILES | CC=O |
| LogP(분배 계수) | -0.16 |
| NIST | Acetaldehyde(75-07-0) |
| EPA | Acetaldehyde (75-07-0) |
화학적 성질
Acetaldehyde is a highly flammable, volatile, colorless liquid. It has a characteristic pungent and suffocating odor, and is miscible in water. Acetaldehyde is ubiquitous in the ambient environment. It is an intermediate product of higher plant respiration and formed as a product of incomplete wood combustion in fi replaces and woodstoves, burning of tobacco, vehicle exhaust fumes, coal refi ning, and waste processing. Exposures to acetaldehyde occur during the production of acetic acid and various other industrial chemical substances. For instance, the manufacture of drugs, dyes, explosives, disinfectants, pheno- lic and urea resins, rubber accelerators, and varnish.
안전 및 규제
| GHS 분류 | DangerH224: Extremely flammable liquid and vapor [Danger Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)H224 (100%): Extremely flammable liquid and vapor [Danger Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Chemical: AcetaldehydeHazard Traits - CarcinogenicityDermatotoxicityNeurotoxicityOcular ToxicityRespiratory ToxicityRegulation (EC) No 1935/2004 (amended)Acetaldehyde is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetaldehyde are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 27-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14231Acetaldehyde: HSNO Approval: HSR001069 Approved with controls |
| 기타 안전 정보 | IMAP assessments - Acetaldehyde: Human health tier II assessment |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Special Hazards of Combustion Products: Produces irritating vapor when heated· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Extremely flammable. Vapour/air mixtures are explosive. |
| 화재 가능성 | Highly flammable liquid.Acetaldehyde vapor leaking into a building equipped only with flameproof electrical equipment ... ignited, possibly on contact with rusted steel, corroded aluminum or hot steam lines.Mixtures of 30-60% of acetaldehyde vapor with air or 60-80% with oxygen may ignite on surfaces at 176 & 105 °C, respectively, owing to formation & subsequent violent decomp of peroxyacetic acid. |
용도
출처
Reported.found.in.oak.and.tobacco.leaves;.in.the.fruital.aromas.of.pear,.apple,.raspberry,.strawberry.and.pineapple;.in.the.distillation.waters.of.Monarda punctata, orris,.cumin,.chenopodium;.in.the.essential.oils.of.Litsea cubeba, Magnolia grandiflora, Artemisia brevifolia, rosemary,.balm,.clary.sage,.Mentha arvensis, daffodil,.bitter.orange,.camphor,.angelica,.fennel,. mustard,.Scotch.blended.whiskey,.Japanese.whiskey,.rose.wine,.blackberry.brandy.and.rum.
용도
Acetaldehyde is used as a general solvent in organic and polymer chemical reactions. It also plays a role in fruit and food quality, ripening and deterioration.manufacture of paraldehyde, acetic acid, butanol, perfumes, flavors, aniline dyes, plastics, synthetic rubber; silvering mirrors, hardening gelatin fibers. Flavoring agent in foods and beverages. Fumigant for storage of apples and strawberries.
일반 설명
Acetaldehyde appears as a clear colorless liquid with a pungent choking odor. Flash point -36 °F. Boiling point 69 °F. Density 6.5 lb / gal. Vapors are heaver than air and irritate the mucous membranes and especially the eyes. Used to make other chemicals.
제조 및 합성 방법
생산 방법
The main production method is the Hoeschst–Wacker twostage process, in which acetaldehyde is generated by oxidizing ethylene with aqueous palladium chloride over a copper catalyst. Some acetaldehyde is also produced by oxidation of ethanol.