라우로니트릴

라우로니트릴 · 운데실사이아나이드 · 도데칸니트릴(CASNo.2437-25-4) · 운데실 사이아나이드 · 도데칸니트릴 · CLONAL · DODECYLNITRILE · Nitrile 12

https://huagongshe.com/ko/chemical/17092

식별자 및 물리적 특성

CAS No.	2437-25-4
분자식	C12H23N
평균 분자량	181.32 g/mol
단동위원소 질량	181.18304974 g/mol
SMILES	CCCCCCCCCCCC#N
InChIKey	VXCUURYYWGCLIH-UHFFFAOYSA-N
PubChem CID	17092
ChEMBL	CHEMBL1879602
ChEBI	CHEBI:189391
EC No.	219-440-1
DTXSID	DTXSID1022188
현지명	라우로니트릴

화학 및 물리적 성질

XLogP	4.7
극성 표면적	23.8
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	9
무거운 원자 수	13
형식 전하	0
복잡도	131
지질	Fatty Acyls [FA] -> Fatty nitriles [FA09]
SpringerMaterials Properties	Boiling point
향료	Fragrance Ingredient (Dodecanenitrile) -> IFRA transparency List
Physical Description	Liquid
녹는점	4°C
끓는 점	198 °C100 mm Hg(lit.)
밀도	0.827 g/mL at 25 °C(lit.)
증기압	13.332hPa at 140.47℃
굴절률	n20/D 1.436(lit.)
인화점	>230 °F
저장 조건	Store below +30°C.
물리적 상태	투명한 액체
비중	0.83
색상	Colorless to Light yellow to Light orange
냄새	디프로필렌 글리콜 중 10.00%. 건조 감귤류 오렌지 껍질 금속성 매운맛
향취 유형	감귤류
용해도	물에 불용성.
BRN	970348
유전율	10.109999999999999
화장품 원료 기능	향수
InChI	1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3
InChIKey	VXCUURYYWGCLIH-UHFFFAOYSA-N
SMILES	CCCCCCCCCCCC#N
LogP(분배 계수)	4.77
NIST	Dodecanenitrile(2437-25-4)
EPA	Dodecanenitrile (2437-25-4)

화학적 성질

CLEAR YELLOW LIQUID

안전 및 규제

GHS 분류	WarningH315 (86.3%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1736 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: DodecanenitrileDodecanenitrile is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecanenitrile 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: 30-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20698Dodecanenitrile: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Irrit. 2 (86.3%)
수질 위해 등급(WGK)	2
TSCA 등재 상태	TSCA listed
RTECS 번호	JR2600000
운송 번호(UN)	UN 3276 6.1/PG 3
관세 코드	29269095
위험 문구(R)	20/21/22
위험 표시	Xn
안전 문구(S)	36-36/37
위험 등급	9Aquatic Acute 1Aquatic Chronic 2Skin Irrit. 2
기존화학 물질	2011-3-5034
저장 분류	10 - Combustible liquids
함량 및 규제정보	물질구분: 유독물질혼합물(제품)함량정보: 도데칸니트릴 및 이를 2.5% 이상 함유한 혼합물
유해화학물질 필터링	2019-1-890

용도

일반 설명

It is common practise to name the Nitrile by the name of the acid which can be formed by acid hydrolysis of the Nitrile. The Nitriie with 12 Carbon atoms (total) will, therefore, be a DODECANOIC NITRILE or LAURIC NITRILE. It has ken suggested for use in perfume compositions as a powerful fragrance-diffusing agent in soap perfumes, and as a modifier in topnotc compositions where aldchydes, woodnotes or green notes are predominant. However, it does not perform like Dodecanal (Aldehyde C-12) and should not be considered as a replacement for that aldehyde. Dodecanenitrile is produced (many methods) e. g.: from Undecyl bromide and Potassium cyanide.