Dodecanenitrile (HCID 17092)

概要

Dodecanenitrile is a nitrile.

名称と識別子

優先名称: Dodecanenitrile
IUPAC: dodecanenitrile
現地名: ラウロニトリル
英語名: Dodecanenitrile
分子式: C12H23N
分子量: 181.32

名称と別名

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

名称をさらに表示

ラウロニトリルシアン化ウンデシルウンデシルシアニドラウリン酸ニトリルドデカンニトリルラウリルニトリルCLONALDODECYLNITRILELauronitrilUndecylcyanidLaurylnitrileDodecannitrilNitrilododecan

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

データベース識別子

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

物性

構造計算による物性

XLogP: 4.7
極性表面積: 23.8 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 9
重原子数: 13
形式電荷: 0
複雑度: 131

実験および物理化学的性質

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

SpringerMaterials PropertiesBoiling point

FragrancesFragrance Ingredient (Dodecanenitrile) -> IFRA transparency List

Physical DescriptionLiquid

物理化学的性質

融点: 4 °C · 4°C
沸点: 198 °C100 · 198 °C100 mm Hg(lit.)
比重(密度): 0.827 g/mL · 0.827 g/mL at 25 °C(lit.)
蒸気圧: 13.332 hPa · 13.332hPa at 140.47℃
屈折率: 20 · n20/D 1.436(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 30 °C · Store below +30°C.
外見: clear liquid
比重: 0.83 · 0.83
色: Colorless to Light yellow to Light orange
臭い (Odor): 10 %。ドライシトラスオレンジピールメタリックスパイシー · ジプロピレングリコール中10.00%。ドライシトラスオレンジピールメタリックスパイシー
においのタイプ: 柑橘類
水溶解度: 水に不溶。
BRN: 970348 · 970348
Dielectric constant: 10.11 · 10.109999999999999
化粧品成分の機能: 香料
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
CAS データベース: 2437 · 2437-25-4(CAS DataBase Reference)
NISTの化学物質情報: Dodecanenitrile(2437-25-4)
EPAの化学物質情報: Dodecanenitrile (2437-25-4)

化学的性質

化学的特性CLEAR YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 4 件

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%)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: JR2600000
ridadr: UN 3276 6.1/PG 3
hs_code: 29269095
risk_code: 20/21/22
化審法: (2)-1507
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 36-36/37
hazard_class: 9
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 2Skin Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

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 · 2 件

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

Dodecanenitrile: ACTIVE

応用分野 · 2 件

用途有機合成原料。

一般的な説明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.