Cydecanol

3a,4,5,6,7,7a-Hexahydro-exo-4,7-methanoinden-5-ol · 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-ol · 3a,4,5,6,7,7a-hexahydro- 4,7-methano-1H-inden-5-o · 5-Hydroxy-3a,4,5,6,7,7a-hexahydro-4,7-methanoindene · 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro- · 133-21-1 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-ol C10H14O

https://huagongshe.com/ko/chemical/94137

식별자 및 물리적 특성

CAS No.	133-21-1
분자식	C10H14O
평균 분자량	150.22 g/mol
단동위원소 질량	150.10446507 g/mol
SMILES	OC1CC2CC1C1C=CCC21
InChIKey	LDUKQFUHJZHLRC-UHFFFAOYSA-N
PubChem CID	94137
EC No.	205-099-6
DTXSID	DTXSID60865339

화학 및 물리적 성질

XLogP	1.6
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	11
형식 전하	0
복잡도	209
녹는점	97-98℃
끓는 점	116-118℃ (10 Torr)
밀도	1.157±0.06 g/cm3(Predicted)
굴절률	1.5065 (589.3 nm 20℃)
pKa(산도 계수)	15.02±0.20(Predicted)
InChI	InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-11H,2,4-5H2
InChIKey	LDUKQFUHJZHLRC-UHFFFAOYSA-N
SMILES	C1C2C(C3CC2CC3O)C=C1
LogP(분배 계수)	1.730 (est)
EPA	3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-ol (133-21-1)

화학적 성질

3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-ol, molecular weight: 150.22, boiling point: 245.90 °C. @ 760.00 mm Hg; flash point: 194.00 °F. TCC ( 90.20 °C.); logP (o/w): 1.730; a vapour pressure: 1.03 Pa (0.00772 mm Hg); soluble in water ( 6552 mg/L @ 25 °C); store at 2~8 °C.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.WarningH302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-: 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.
Hazard Classes and Categories	Acute Tox. 4 (98.1%)
TSCA 등재 상태	TSCA listed