트리데칸알
트리데칸알 · 트리데칸알(TRIDECANAL) · 트리데카날 · N-TRIDECANAL · 1-Tridecanal · AVALONE M · TRIDECANAL · 1-Tridecanone
식별자 및 물리적 특성
| CAS No. | 10486-19-8 |
|---|---|
| 분자식 | C13H26O |
| 평균 분자량 | 198.34 g/mol |
| 단동위원소 질량 | 198.19836545 g/mol |
| SMILES | CCCCCCCCCCCCC=O |
| InChIKey | BGEHHAVMRVXCGR-UHFFFAOYSA-N |
| PubChem CID | 25311 |
| ChEMBL | CHEMBL2228568 |
| ChEBI | CHEBI:89816 |
| EC No. | 234-004-0 |
| DTXSID | DTXSID4021682 |
| 현지명 | 트리데칸알 |
화학 및 물리적 성질
| XLogP | 5.4 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 11 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 110 |
| 물질 분류 | Other Classes -> Aldehydes |
| 지질 | Fatty Acyls [FA] -> Fatty aldehydes [FA06] |
| SpringerMaterials Properties | Boiling point |
| 향료 | Fragrance Ingredient (Tridecanal) -> IFRA transparency List |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 끓는 점 | 132.00 to 136.00 °C. @ 8.00 mm Hg132-136 °C8 mm Hg(lit.) |
| 녹는점 | 14 °C15°C |
| Physical Description | Melting point = 14 deg C[ChemIDplus] Liquid[Alfa Aesar MSDS] |
| 밀도 | 0.835 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.437(lit.) |
| FEMA | 4335 | TRIDECANAL |
| 인화점 | >230 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 물에 불용성 |
| 물리적 상태 | 액체 |
| 색상 | White or Colorless to Light yellow |
| 냄새 | 디프로필렌 글리콜 중 1.00%. 신선하고 깨끗한 알데히드 비누 감귤 꽃잎 왁스 자몽 껍질 |
| 향취 유형 | 알데히드계 |
| 생물학적 소스 | synthetic |
| JECFA Number | 2301 |
| 헨리 상수 | 5.8×10-3 mol/(m3Pa) at 25℃, Yaws (2003) |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3 |
| InChIKey | BGEHHAVMRVXCGR-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCC=O |
| LogP(분배 계수) | 5.69 |
| NIST | Tridecanal(10486-19-8) |
| EPA | Tridecanal (10486-19-8) |
화학적 성질
Tridecanal occurs in lemon oil and has been identified as a volatile constituent of cucumber. It is a colorless liquid having a fatty, waxy, slightly citrus-like odor. Addition of tridecanal to fragrance compositions imparts fresh nuances in the top note as well as in the dry-out.
안전 및 규제
| GHS 분류 | DangerH314 (17.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 136 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: TridecanalTridecanal: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | An irritant[Alfa Aesar MSDS] |
| Peroxide Forming Chemical | TridecanalD*: Other compounds that may form peroxidesBretherick'sA mixture of isomers was reported to have ignited after extended contact with air. See Bretherick's.Steele, A. B. et al., Chem. Engrg., 1959, 66(4), 160 |
| Hazard Classes and Categories | Skin Corr. 1B (17.6%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2912.19.5000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26 |
| 기존화학 물질 | KE-34145 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| 저장 분류 | 10 - Combustible liquids |
용도
출처
Reported found in angelica seed oil CO2 extract (0.50%), blood orange oil (Citrus senensis L. var. Sanguinello) Italy (trace), blood orange oil (Citrus senensis L. var. Tarocco) Italy (trace), blood orange oil Italy (trace), cistus oil (0.1%), coriander leaf oil (1.43–1.44%), Herniaria incana Lam. oil Greece (5.80%), orange peel oil sweet c.p. blond Italy (trace), and witch hazel leaf oil (0.24%).
용도
Tridecanal is a model compound in the nonradioactive assay/RP-HPLC-fluorescence analysis of aliphatic aldehydes employing the Hantzsch reaction.
일반 설명
The uptake of NO(3) on solid tridecanal was studied.