beta-Cyclocitral

1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl- · β-cyclocitral · B-CYCLOCITRAL · 2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde · 2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-CARBOXALDEHYDE · Grade · FEMA 3639 · 2,2-Dimethyl-6-methylenecyclohexane-1-carbaldehyde

https://huagongshe.com/ko/chemical/9895

식별자 및 물리적 특성

CAS No.	432-25-7
분자식	C10H16O
평균 분자량	152.23 g/mol
단동위원소 질량	152.12011513 g/mol
SMILES	CC1=C(C=O)C(C)(C)CCC1
InChIKey	MOQGCGNUWBPGTQ-UHFFFAOYSA-N
PubChem CID	9895
ChEBI	CHEBI:53177
EC No.	207-081-3
DTXSID	DTXSID7047142

화학 및 물리적 성질

XLogP	2.4
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	11
형식 전하	0
복잡도	199
향료	Fragrance Ingredient (2,6,6-Trimethyl-1&2-cyclohexen-1-carboxaldehyde) -> IFRA transparency List
향미제	EU Flavoring substances
끓는 점	62.00 to 63.00 °C. @ 3.00 mm Hg62-63 °C3 mm Hg(lit.)
녹는점	62-63 C
밀도	0.943 g/mL at 25 °C(lit.)
굴절률	n20/D 1.497(lit.)
FEMA	3639 \| 2,6,6-TRIMETHYL-1&2-CYCLOHEXEN-1-CARBOXALDEHYDE
인화점	>230 °F
저장 조건	Inert atmosphere,Store in freezer, under -20°C
용해도	클로로포름(약간 용해됨), 디클로로메탄, 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	기름
색상	무색~진한 노란색
냄새	디프로필렌 글리콜 중 10.00%. 열대 사프란 허브 깨끗한 산화 장미 달콤한 담배 다마스콘 과일향
향취 유형	열대향기
용해도	클로로포름, 디클로로메탄, 에틸 아세테이트 및 메탄올에 용해됩니다. 물에 불용성.
JECFA Number	979
안정성	감광성
주요 응용	청소용품화장품향료 및 향음식 및 음료개인 위생 관리
화장품 원료 기능	향수
InChI	1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3
InChIKey	MOQGCGNUWBPGTQ-UHFFFAOYSA-N
SMILES	[H]C(=O)C1=C(C)CCCC1(C)C
LogP(분배 계수)	3.26
EPA	1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl- (432-25-7)

화학적 성질

Colourless Oil

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 53.3% (64 of 120) of all reports.WarningH302 (40.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 120 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: 1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - 1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-: Environment tier I assessment
Hazard Classes and Categories	Acute Tox. 4 (40.8%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	1760
관세 코드	29122990
위험 문구(R)	20/21/22-36/37/38
위험 표시	Xn,Xi
안전 문구(S)	26-36-37/39
포장분류	III
위험 등급	8Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	10 - Combustible liquids

용도

출처

Reported found in tea, apricot, melon, tomato, tomato paste, ginger, rum, Japanese plum, plumcot, mango, apple brandy, calamus, buckwheat, Bourbon vanilla, cape gooseberry and maté.

용도

beta-Cyclocitral is used as flavoring agent, nutrient, stabilizers, surfactants and emulsifiers.

제조 및 합성 방법

생산 방법

BETA-CYCLOCITRAL can be produced by condensation of Citral with Aniline, followed by hydrolysis and separation of the alpha and beta isomers by fractionated distillation.