Geranyl nitrile

GERANYL NITRILE · Geranyl Nitrile [Mixture of (E)- and (Z)- isoMers, (1:1)] · LRT8 · CITRALVA · GERANONITRILE · GERANYLNITRIL · 3,7-dimethyl-6-octadienenitrile · 3,7-Dimethylocta-2,6-diennitril

https://huagongshe.com/ko/chemical/21768

식별자 및 물리적 특성

CAS No.	5146-66-7
분자식	C10H15N
평균 분자량	149.23 g/mol
단동위원소 질량	149.12044948 g/mol
SMILES	CC(C)=CCCC(C)=CC#N
InChIKey	HLCSDJLATUNSSI-UHFFFAOYSA-N
PubChem CID	21768
ChEMBL	CHEMBL3185090
EC No.	225-918-0
DTXSID	DTXSID3036286

화학 및 물리적 성질

XLogP	3.3
극성 표면적	23.8
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	3
무거운 원자 수	11
형식 전하	0
복잡도	208
향료	Fragrance substance (Geranyl nitrile) -> IFRA amendment 43
끓는 점	110 °C1.3 mm Hg(lit.)
밀도	0.853 g/mL at 25 °C(lit.)
증기압	3.7-4.82Pa at 20-25℃
굴절률	n20/D 1.475(lit.)
인화점	>230 °F
저장 조건	Sealed in dry,Room Temperature
물리적 상태	투명한 액체
비중	0.866
색상	무색 또는 매우 연한 노란색의 액체.
냄새	디프로필렌 글리콜 중 10.00%. 시트러스 레몬 니트릴 알데히드 메탈릭
향취 유형	감귤류
용해도	약간 용해됨
헨리 상수	2.9×10-2 mol/(m3Pa) at 25℃, Helburn et al. (2008)
LogP(분배 계수)	2.7-3.47 at 35℃
EPA	2,6-Octadienenitrile, 3,7-dimethyl- (5146-66-7)

화학적 성질

Almost colorless or very pale yellowish oily liquid. B.P. 222°C. Sp.Gr. 0,87.Practically insoluble in water, soluble in alcohol and oils.

안전 및 규제

GHS 분류	DangerH340: May cause genetic defects [Danger Germ cell mutagenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.5% (2 of 364) of reports.H340 (66.5%): May cause genetic defects [Danger Germ cell mutagenicity]
규제 정보	Chemical: 2,6-Octadienenitrile, 3,7-dimethyl-Hazard Traits - GenotoxicityStatus: Active Update: 14-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16500Geranyl nitrile: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - Geranyl and neryl nitriles: Human health tier II assessment
Hazard Classes and Categories	Muta. 1B (66.5%)Germ cell mutagenicity - category 1B
수질 위해 등급(WGK)	1
TSCA 등재 상태	TSCA listed
RTECS 번호	RG5370000
운송 번호(UN)	UN 3082 9/PG 3
독성	The acute oral LD50 value in rats was reported as 31 g/kg and the acute dermal LD50 value in rabbits as 4.3 g/kg (Wohl. 1974).
관세 코드	29269095
위험 문구(R)	51/53-68-20/21
위험 표시	Xn,N
안전 문구(S)	36/37-61-23
기존화학 물질	KE-11583

용도

출처

Has apparently not been reported to occur in nature.

용도

Geranyl Nitrite, is a substituted terpenoid odorant with a fruity odor quality. It is one of the most potent cyclase stimulators.

제조 및 합성 방법

생산 방법

3,7-Dimethyl-2,6-octadienenitrile can be produced from: 1) Geranialoxime with Acetic anhydride. 2) Geranyl chloride and Sodium cyanide.

제조 방법

From geranialoxime with acetic anhydride (Arctander. 1969).