Tonalide

TONALIDE · Tonalid · 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthyl)etha... · AHTN · Ganolide · FIXOLIDE · Tetralide · Extralide

https://huagongshe.com/ko/chemical/89440

식별자 및 물리적 특성

CAS No.	1506-02-1
분자식	C18H26O
평균 분자량	258.4 g/mol
단동위원소 질량	258.19836545 g/mol
SMILES	CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C
InChIKey	DNRJTBAOUJJKDY-UHFFFAOYSA-N
PubChem CID	89440
ChEMBL	CHEMBL3184267
ChEBI	CHEBI:88666
EC No.	216-133-4
DTXSID	DTXSID7041544

화학 및 물리적 성질

XLogP	5.3
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	19
형식 전하	0
복잡도	366
LogP(분배 계수)	log Kow = 5.70
냄새	Odor type: musk사향, 따뜻함, 빛나고 끈질긴 냄새
밀도	The relative density will be between the bulk density and its density in molten form: 600 < D < 960 kg/cu m0.919±0.06 g/cm3(Predicted)
Color/Form	White to off-white crystalline solid
용해도	In water, 1.25 mg/L, temp not specified클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
끓는 점	The boiling temperature at atmospheric pressure is 326 +/- 4 °C.124 °C(Press: 1 Torr)
Decomposition	When heated to decomposition it emits acrid smoke and irritating vapors.
녹는점	54.5 °C550C
증기압	0.000512 [mmHg]5.12X10-4 mm Hg, temp not specified0.068Pa at 25℃
헨리 상수	Henry's Law constant = 1.4X10-4 atm-cu m/mol at 25 °C (est VP/WS)7.0×10-2 mol/(m3Pa) at 25℃, HSDB (2015)
Physical Description	Large CrystalsOther SolidSolid with an odor of musk[HSDB]
Stability/Shelf Life	Stable under recommended storage conditions.
저장 조건	Sealed in dry,Room Temperature
물리적 상태	고체
색상	흰색에서 황백색까지
주요 응용	청소용품화장품향료 및 향음식 및 음료개인 위생 관리
화장품 원료 기능	향수향기
InChI	1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3
InChIKey	DNRJTBAOUJJKDY-UHFFFAOYSA-N
SMILES	CC1CC(C)(C)c2cc(C(C)=O)c(C)cc2C1(C)C
LogP(분배 계수)	5.4 at 25℃
NIST	Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-(21145-77-7)
EPA	Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)- (21145-77-7)

화학적 성질

Off-White Powder

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 2.1% (38 of 1807) of reports.WarningH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]H400 (90.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (97.9%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1807 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 38 of 1807 reports by companies.There are 12 notifications provided by 1769 of 1807 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보	Chemical: Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)- 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: 01-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12034Status: Cease Manufacture Update: 21-05-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/12808
기타 안전 정보	IMAP assessments - Tonalide: Human health tier II assessmentIMAP assessments - Tonalide and related polycyclic musks: Environment tier II assessment
유해성 요약	A mild eye irritant, based on animal studies[CHEMINFO] Causes liver injury in high-dose animal experiments[RTECS] May be safely used as a fragrance in cosmetics up to 12%

용도

Tonalide is used for non-alcoholic perfumes.