1-Octen-3-yl butyrate

FEMA 3612 · oct-1-en-3-yl butanoate · EINECS 240-555-8 · 1-octene-3-butyrate · 1-octen-3-olbutyrate · 1-pentylallylbutyrate · l-Octen-3-yl butyrate · 1-Octen-3-yl butyrate

https://huagongshe.com/ko/chemical/27892

식별자 및 물리적 특성

CAS No.	164578-37-4
분자식	C12H22O2
평균 분자량	198.3 g/mol
단동위원소 질량	198.16197994 g/mol
SMILES	C=CC(CCCCC)OC(=O)CCC
InChIKey	LZWFXVJBIZIHCH-UHFFFAOYSA-N
PubChem CID	27892
ChEBI	CHEBI:169568
EC No.	240-555-8
DTXSID	DTXSID80864682

화학 및 물리적 성질

XLogP	4
극성 표면적	26.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	9
무거운 원자 수	14
형식 전하	0
복잡도	164
지질	Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
식품 첨가물	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도	0.870-0.8790.87 g/mL at 25 °C (lit.)
향미제	EU Flavoring substances
용해도	Insoluble in watersoluble in oilsslightly soluble in propylene glycolSoluble (in ethanol)
끓는 점	225.00 to 227.00 °C. @ 760.00 mm Hg80-81 °C (3.5 mm Hg)225-229°C(lit.)
굴절률	1.423-1.428n20/D 1.4295(lit.)
Physical Description	Colourless liquidSweet, fruity, buttery, mushroom aroma
녹는점	225-229 °C(lit.)
FEMA	3612 \| 1-OCTEN-3-YL BUTYRATE
인화점	210 °F
냄새	디프로필렌 글리콜 중 10.00%. 프루티 꽃 난초 왁시 그린 사유 식물 워터리 메탈릭 버섯 버터리
향취 유형	버섯
생물학적 소스	synthetic
JECFA Number	1837
주요 응용	향료 및 향
InChI	1S/C12H22O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3
InChIKey	LZWFXVJBIZIHCH-UHFFFAOYSA-N
SMILES	CCCCCC(OC(=O)CCC)C=C
LogP(분배 계수)	4.53
EPA	1-Vinylhexyl butyrate (16491-54-6)

화학적 성질

1-Octen-3-yl butyrate has a fruity, buttery, strawberry, mushroom odor.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 100% (1422 of 1422) of all reports.Not ClassifiedAggregated GHS information provided per 1422 reports by companies from 1 notifications to the ECHA C&L Inventory.This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
규제 정보	Chemical: Butanoic acid, 1-ethenylhexyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Butanoic acid, 1-ethenylhexyl ester: 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	ET7030000
기존화학 물질	KE-03850
저장 분류	10 - Combustible liquids

용도

개요

l-Octen-3-yl butyrate has a fruity, buttery, strawberry, mushroom odor.

출처

Reported found in passion fruit, lemon peel oil and lavender oil.

일반 설명

Natural occurrence: Passion fruit.