데실알데히드
데크알데하이드 · n-데실알데하이드 · N-데실알데히드 · 데실알데히드 · 데칸알 · 십세의 · DECANAL · ALDEHYDE C-10
식별자 및 물리적 특성
| CAS No. | 112-31-2 |
|---|---|
| 분자식 | C10H20O |
| 평균 분자량 | 156.26 g/mol |
| 단동위원소 질량 | 156.15141526 g/mol |
| SMILES | CCCCCCCCCC=O |
| InChIKey | KSMVZQYAVGTKIV-UHFFFAOYSA-N |
| PubChem CID | 8175 |
| ChEMBL | CHEMBL2228377 |
| ChEBI | CHEBI:31457 |
| EC No. | 203-957-4 |
| DTXSID | DTXSID4021553 |
| 현지명 | 데실알데히드 |
화학 및 물리적 성질
| XLogP | 3.8 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 78.9 |
| 물질 분류 | Other Classes -> Aldehydes |
| 지질 | Fatty Acyls [FA] -> Fatty aldehydes [FA06] |
| 화장품 | Masking |
| SpringerMaterials Properties | Boiling point |
| 향료 | Fragrance Ingredient (Decanal) -> IFRA transparency List |
| 냄새 | Floral-fatty odorCitrus odorSimilar to that of an orange peelPenetrating, sweet, waxy, floral, citrus, pronounced fatty odor that develops a floral character on dilution기분 좋은 냄새 |
| 맛 | Fatty, citrus-like odorSharp, orange flavor |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.83 at 59 °F (USCG, 1999) - Less dense than waterwill float0.830 g/cu cm at 15 °C0.823-0.8320.830 @ 15°C0.83 g/mL at 20 °C 0.83 g/mL at 25 °C (lit.) |
| 향미제 | EU Flavoring substances |
| Viscosity | 1.5417 cP |
| Color/Form | Colorless to light-yellow liquid |
| 녹는점 | 7 °C |
| 끓는 점 | 207-209 °C (lit.) |
| 증기 밀도 | >1 (vs air) |
| 증기압 | ~0.15 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.428(lit.) |
| FEMA | 2362 | DECANAL |
| 인화점 | 186 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | 아세토니트릴(약간 용해됨), 클로로포름(소량으로 용해), 메탄올(약간 용해됨) |
| 물리적 상태 | 액체 |
| 색상 | 투명, 무색 |
| 향취 유형 | 알데히드계 |
| 생물학적 소스 | synthetic |
| 후각 역치 | 0.0004ppm |
| 용해도 | 불용성 |
| JECFA Number | 104 |
| BRN | 1362530 |
| 헨리 상수 | 6.3×10-3 mol/(m3Pa) at 25℃, Brockbank (2013) |
| 유전율 | 8.1(Ambient) |
| 안정성 | 안정적인. 가연성. 강한 산화제와 호환되지 않습니다. |
| 주요 응용 | 청소용품화장품향료 및 향음식 및 음료개인 위생 관리 |
| 화장품 원료 기능 | 향기 |
| InChI | 1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3 |
| InChIKey | KSMVZQYAVGTKIV-UHFFFAOYSA-N |
| SMILES | [H]C(=O)CCCCCCCCC |
| LogP(분배 계수) | 3.8 at 35℃ |
| NIST | Decanal(112-31-2) |
| EPA | Decanal (112-31-2) |
화학적 성질
colourless liquid, an important component of citrus
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 2.8% (66 of 2367) of reports.WarningH315 (21.9%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2367 reports by companies from 25 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: DecanalDecanal is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Decanal 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: 30-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13619Decanal: Does not have an individual approval but may be used under an appropriate group standard |
| 건강 유해성 | On direct contact can produce eye and skin irritationlow general toxicity. (USCG, 1999) |
| 유해성 요약 | Category of C7-C9 aliphatic aldehydes and carboxylic acids: Members and supporting chemicals demonstrate low acute toxicity by oral, dermal, and inhalation exposurestoxicity in repeated-dose studies only at relatively high levelsno evidence of reproductive toxicity, developmental toxicity, or mutagenicity[EPA ChAMP: Hazard Characterization] A skin and eye irritant[CAMEO] Safe when used as a flavoring agent in food[JECFA] An irritant[MSDSonline] |
| FDA 요건 | Synthetic flavoring substances and adjuvants /for human consumption/ that are generally recognized as safe for their intended use, withn the meaning of section 409 of the Act. Decanal is included on this list.Synthetic flavoring substances and adjuvants /for animal drugs, feeds, and related products/ that are generally recognized as safe for their intended use, within the meaning of section 409 of the Act. Decanal is included on this list. |
| 반응성 그룹 | Aldehydes |
| TSCA 요건 | Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 9/30/91 |
용도
출처
Among the aliphatic aldehydes, it has the largest natural occurrence in a variety of essential oils and extraction products: lemongrass, lavender, Taiwan citronella, sweet orange, mandarin, grapefruit, orris, coriander, Acacia farnesiana Willd., lemon (from different sources), bitter orange, petitgrain bergamot, petitgrain lime, lime and Bulgarian clary sage. Also reported found in citrus peel oils and juices, apple, apricots, avocado, guava, strawberry, baked potato, tomato, rice, ginger, mozarella cheese, other cheeses, butter, milk, lean fish, cooked chicken, beef, pork, beer, tea, cocoa, roasted peanuts, pecans, soybeans, coconut oil, coriander seed and leaf and corn oil.
용도
Decanal is used in fragrances and flavoring and it is an important component in citrus along with octanal, citral, and sinensal. It is also used in Air Care Products, Laundry and Dishwashing Products, Personal Care Products.
일반 설명
Colorless to light yellow liquid with a pleasant odor. Floats on water. Freezing point in 64°F.
제조 및 합성 방법
제조 방법
Industrially prepared by oxidation of n-decanol or by reduction of the corresponding acid.