Dodecanenitrile (HCID 17092)

개요

Dodecanenitrile is a nitrile.

이름 및 식별자

우선 이름: Dodecanenitrile
IUPAC: dodecanenitrile
현지명: 라우로니트릴
영어명: Dodecanenitrile
분자식: C12H23N
분자량: 181.32

이름 및 동의어

Dodecanenitrile2437-25-4TL45I6761PNSC-1804RefChem:135430219-440-1LAURONITRILEUndecyl cyanideDodecanonitrilen-Undecyl cyanideLauric nitrile1-Cyanoundecane

이름 더 보기

라우로니트릴운데실사이아나이드도데칸니트릴(CASNo.2437-25-4)운데실 사이아나이드도데칸니트릴CLONALDODECYLNITRILELauronitrilUndecylcyanidLaurylnitrileDodecannitrilNitrilododecan

DecylacetonitrileLauric acid nitrileDodecane nitrileNSC 1804EINECS 219-440-1Nitrile 12UNII-TL45I6761PBRN 0970348

데이터베이스 식별자

CAS: 2437-25-4
PubChem CID: 17092
DTXSID: DTXSID1022188
ChEMBL: CHEMBL1879602
ChEBI: CHEBI:189391
UNII: TL45I6761P
EC Number: 219-440-1
Nikkaji: J42.966J

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 9
무거운 원자 수: 13
형식 전하: 0
복잡도: 131

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty nitriles [FA09]

SpringerMaterials PropertiesBoiling point

FragrancesFragrance Ingredient (Dodecanenitrile) -> IFRA transparency List

Physical DescriptionLiquid

물리화학적 성질

녹는점: 4 °C · 4°C
끓는 점: 198 °C100 · 198 °C100 mm Hg(lit.)
밀도: 0.827 g/mL · 0.827 g/mL at 25 °C(lit.)
증기압: 13.332 hPa · 13.332hPa at 140.47℃
굴절률: 20 · n20/D 1.436(lit.)
인화점: 230 °F · >230 °F
저장 조건: 30 °C · Store below +30°C.
물리적 상태: 투명한 액체
Specific Gravity: 0.83 · 0.83
색상: Colorless to Light yellow to Light orange
냄새: 10 % · 디프로필렌 글리콜 중 10.00%. 건조 감귤류 오렌지 껍질 금속성 매운맛
냄새 유형: 감귤류
수용성: 물에 불용성.
BRN: 970348 · 970348
Dielectric constant: 10.11 · 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: 4.77 · 4.77
NIST: Dodecanenitrile(2437-25-4)
EPA: Dodecanenitrile (2437-25-4)

화학적 성질

CLEAR YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (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.

유해성 정보

Regulatory Information · 4건

Chemical: Dodecanenitrile

Dodecanenitrile 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/20698

Dodecanenitrile: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (86.3%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: JR2600000
ridadr: UN 3276 6.1/PG 3
HS 번호: 29269095
risk_code: 20/21/22
hazard_code: Xn
safety_code: 36-36/37
위험 등급: 9
기존화학 물질: 2011-3-5034
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 2Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids
함량 및 규제정보: 물질구분: 유독물질; 혼합물(제품)함량정보: 도데칸니트릴 및 이를 2.5% 이상 함유한 혼합물
유해화학물질 필터링: 2019-1-890

화학 및 산업

용도 및 제조

U.S. Production2023: 150,256 lb

Consumer UsesFragrance

Industry UsesFragrance

Household ProductsInformation on 38 consumer products that contain Dodecanenitrile in the following categories is provided:

Use ClassificationFragrance Ingredients

General Manufacturing Information · 2건

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

Dodecanenitrile: ACTIVE

응용 분야 · 1건

일반 설명It 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.