Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol
SABINENE HYDRATE · TRANS-SABINENE HYDRATE · (E)-Sabinene hydrate · FEMA 3239 · cis-4-Thujanol · trans-4-Thujanol · ISOTHUJOL · cis-Sabinenehydrate
식별자 및 물리적 특성
| CAS No. | 546-79-2 |
|---|---|
| 분자식 | C10H18O |
| 평균 분자량 | 154.25 g/mol |
| 단동위원소 질량 | 154.1357652 g/mol |
| SMILES | CC(C)C12CCC(C)(O)C1C2 |
| InChIKey | KXSDPILWMGFJMM-UHFFFAOYSA-N |
| PubChem CID | 62367 |
| ChEMBL | CHEMBL5305985 |
| ChEBI | CHEBI:16377 |
| EC No. | 208-911-7 |
| DTXSID | DTXSID40862164 |
화학 및 물리적 성질
| XLogP | 2.1 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 187 |
| 향료 | Fragrance Ingredient (4-Thujanol) -> IFRA transparency List |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 향미제 | EU Flavoring substances |
| 용해도 | (in ethanol)클로로포름, 에탄올(약간 용해됨), 헥산(약간 용해됨) |
| 끓는 점 | trans 193-196 °Ccis 195-200 °C201.7±8.0 °C(Predicted) |
| 굴절률 | trans, 1.443 (60 °C)cis, 1.449 (60 °C) |
| Physical Description | terpineol odour |
| 녹는점 | 58-62 °C |
| 밀도 | 1.030±0.06 g/cm3(Predicted) |
| FEMA | 3239 | 4-THUJANOL |
| 저장 조건 | -20°C |
| pKa(산도 계수) | 15.22±0.40(Predicted) |
| 색상 | 회백색 |
| 냄새 | 디프로필렌 글리콜 중 1.00%. 민트 유칼립투스 그린 테르펜 |
| 향취 유형 | 약초 |
| JECFA Number | 441 |
| 주요 응용 | 청소용품화장품향료 및 향음식 및 음료개인 위생 관리 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9+,10+/m0/s1 |
| InChIKey | KXSDPILWMGFJMM-IVZWLZJFSA-N |
| SMILES | CC(C)[C@@]12CCC(C)(O)[C@@H]1C2 |
| LogP(분배 계수) | 2.53 |
| EPA | Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)- (546-79-2) |
화학적 성질
Thujan-4-ol has an odor reminiscent of terpineol.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 78.3% (90 of 115) of all reports.WarningH226 (21.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-Bicyclo3.1.0hexan-2-ol, 2-methyl-5-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (21.7%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| F 고인화성물질 | 8-10-23 |
| 저장 분류 | 11 - Combustible Solids |
용도
출처
Reported found in peppermint oil (trans-form), lemon juice, mandarin peel oil, mandarin, nutmeg, peppermint, rosemary, scotch spearmint, tarragon, thyme, black currant (buds), Vitis vinifera L., ginger, spearmint oil, other Mentha oils, pepper, sweet marjoram, cardamom, origanum, dill herb, Oscimum basilicum varieties and laurel.
용도
Sabinene Hydrate is a monoterpene and an essential oil component, found to have antifungal activity.