Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 5374527생성일: 2026년 10월 27일
트렌스-로즈케톤-2
트렌스-로즈케톤-2 · β-Damascone · (E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one · FEMA 3243 · (E)-1-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-2-en-1-one · (E)-β-Damascone · DORINONE BETA FAB · (e)-beta-damascone
https://huagongshe.com/ko/chemical/5374527
식별자 및 물리적 특성
| CAS No. | 23726-91-2 |
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| 분자식 | C13H20O |
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| 평균 분자량 | 192.3 g/mol |
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| 단동위원소 질량 | 192.15141526 g/mol |
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| SMILES | C/C=C/C(=O)C1=C(C)CCCC1(C)C |
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| InChIKey | BGTBFNDXYDYBEY-FNORWQNLSA-N |
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| PubChem CID | 5374527 |
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| ChEMBL | CHEMBL4565078 |
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| ChEBI | CHEBI:192137 |
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| EC No. | 245-842-1 |
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| DTXSID | DTXSID7051890 |
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| 현지명 | 트렌스-로즈케톤-2 |
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화학 및 물리적 성질
| XLogP | 3.5 |
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| 극성 표면적 | 17.1 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 1 |
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| 회전 가능 결합 수 | 2 |
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| 무거운 원자 수 | 14 |
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| 형식 전하 | 0 |
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| 복잡도 | 292 |
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| 향료 | Fragrance Ingredient ((2E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one) -> IFRA transparency List |
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| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| 향미제 | EU Flavoring substances |
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| 끓는 점 | 200.00 °C. @ 760.00 mm Hg271℃ |
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| Physical Description | Liquid |
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| 밀도 | 0.934 g/mL at 20 °C(lit.) |
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| 증기압 | 2.6Pa at 25℃ |
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| FEMA | 3243 | 1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2-BUTEN-1-ONE |
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| 굴절률 | n20/D 1.498 |
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| 인화점 | 108℃ |
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| 저장 조건 | -20°C |
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| 용해도 | 클로로포름 (약간 용해됨), DMSO (약간 용해됨) |
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| 물리적 상태 | 기름 |
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| 색상 | 무색~담황색 |
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| 냄새 | 디프로필렌 글리콜 중 1.00%. 과일향이 나는 꽃무늬 베리 자두 블랙커런트 꿀 장미 담배 |
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| 향취 유형 | 과일 같은 |
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| 용해도 | 192.3mg/L(25℃) |
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| JECFA Number | 384 |
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| BRN | 2046078 |
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| 안정성 | 감광성 |
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| 화장품 원료 기능 | 향수 |
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| InChI | 1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+ |
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| InChIKey | BGTBFNDXYDYBEY-FNORWQNLSA-N |
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| SMILES | C\C=C\C(=O)C1=C(C)CCCC1(C)C |
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| LogP(분배 계수) | 3.68 |
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| EPA | 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)- (23726-91-2) |
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안전 및 규제
| GHS 분류 | WarningH315 (23%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 610 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H317: May cause an allergic skin reaction [Warning Sensitization, Skin] |
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| 규제 정보 | Chemical: 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-Regulation (EC) No 1831/2003 (amended)2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)- 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: 07-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/165852-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-,(2E)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| 기타 안전 정보 | IMAP assessments - Damascones: Human health tier II assessment |
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| Hazard Classes and Categories | Skin Irrit. 2 (23%)Skin sensitisation - category 1 |
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| 수질 위해 등급(WGK) | 2 |
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| TSCA 등재 상태 | TSCA listed |
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| RTECS 번호 | EN0340000 |
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| 관세 코드 | 29142990 |
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| 위험 문구(R) | 43 |
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| 위험 표시 | Xi |
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| 안전 문구(S) | 36/37 |
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| 기존화학 물질 | 2006-3-3589 |
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| F 고인화성물질 | 10-23 |
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