2-sec-Butyl cyclohexanone

FRESKOMENTHE · FEMA 3261 · FRESCOMENTHE · 2-CYCLOHEXANONE · Freskomenthe 5202703 · 2-sec-butyl-cyclohexanon · O-SEC-BUTYLCYCLOHEXANONE · peppermint cyclohexanone

https://huagongshe.com/ko/chemical/61771

식별자 및 물리적 특성

CAS No.	14765-30-1
분자식	C10H18O
평균 분자량	154.25 g/mol
단동위원소 질량	154.1357652 g/mol
SMILES	CCC(C)C1CCCCC1=O
InChIKey	RQXTZKGDMNIWJF-UHFFFAOYSA-N
PubChem CID	61771
EC No.	238-830-2
DTXSID	DTXSID4041818

화학 및 물리적 성질

XLogP	2.8
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	2
무거운 원자 수	11
형식 전하	0
복잡도	140
향료	Fragrance Ingredient (2-sec-Butylcyclohexanone) -> IFRA transparency List
식품 첨가물	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도	0.911-0.9170.912 g/mL at 25 °C(lit.)
향미제	EU Flavoring substances
용해도	566 mg/L @ 20 °C (exp)insoluble in watermiscible with most oilsMiscible at room temperature (in ethanol)
끓는 점	76.00 to 78.00 °C. @ 8.00 mm Hg76-78 °C76-78 °C8 mm Hg(lit.)
굴절률	1.454-1.461n20/D 1.458(lit.)
Physical Description	LiquidColourless, viscous liquid, solidifies to an opaque masswoody camphoraceous somewhat musty odour
녹는점	27.18°C (estimate)
증기압	5.52hPa at 20℃
FEMA	3261 \| 2-SEC-BUTYLCYCLOHEXANONE
인화점	181 °F
물리적 상태	투명한 액체
색상	Colorless to Light yellow to Light orange
냄새	100.00%에서. 신선한 민트 페퍼민트 우디 장뇌
향취 유형	멘톨
용해도	577mg/L at 20℃
JECFA Number	1109
BRN	1859137
화장품 원료 기능	향수
LogP(분배 계수)	3.2 at 35℃
EPA	Cyclohexanone, 2-(1-methylpropyl)- (14765-30-1)

화학적 성질

2-sec-Butylcyclohexanone has a woody, camphoraceous, somewhat musty odor.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 96% (1531 of 1595) of all reports.Not ClassifiedAggregated GHS information provided per 1595 reports by companies from 3 notifications to the ECHA C&L Inventory.
규제 정보	Chemical: Cyclohexanone, 2-(1-methylpropyl)-Regulation (EC) No 1334/2008 (amended)Cyclohexanone, 2-(1-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanone, 2-(1-methylpropyl)- 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: 28-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/222562-sec-butylcyclohexan-1-one: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Not Classified
수질 위해 등급(WGK)	2
TSCA 등재 상태	TSCA listed
RTECS 번호	GW1804000
독성	rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 30, Pg. 11S, 1992.
관세 코드	29142990
안전 문구(S)	24/25
기존화학 물질	2010-3-4789

제조 및 합성 방법

제조 방법

By hydrogenation of o-sec-butyl phenol in the presence of palladium catalyst; by hydrogenation of 2-sec-butylidene cyclohexanone.