(+-)-2-Undecanol (HCID 15448)

名称と識別子

優先名称: (+-)-2-Undecanol
IUPAC: undecan-2-ol
現地名: 2-ウンデカノール
英語名: 2-Undecanol
分子式: C11H24O
分子量: 172.31

名称と別名

2-UNDECANOLUndecan-2-ol1653-30-12-Hendecanol2-Hydroxyundecanesec-Undecyl AlcoholFEMA No. 324649PCZ1S7LY(+-)-2-UndecanolDTXSID2058673CHEBI:77930RefChem:483844

名称をさらに表示

2-ウンデカノール2-ヘンデシルアルコールメチルノニルカルビノール2-ヘンデカノールウンデカン-2-オールFEMA 3246See A14441DL-2-UNDECANOL(±)-undecan-2-ol2-UNDECANOL 99+%2-UNDECANOL, 98+%

DTXCID107962216-722-6Methyl nonyl carbinol113666-64-1MFCD00021958Undecylic alcohol, sec-METHYLNONYLCARBINOL(+)-2-Undecanol

データベース識別子

CAS: 1653-30-1
PubChem CID: 15448
DTXSID: DTXSID2058673
ChEMBL: CHEMBL4633278
ChEBI: CHEBI:77930
UNII: 49PCZ1S7LY
EC Number: 216-722-6
Nikkaji: J102.385C

物性

構造計算による物性

XLogP: 4.5
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 8
重原子数: 12
形式電荷: 0
複雑度: 81

実験および物理化学的性質

Density0.828-0.831 (20 °C)

Solubility · 3 件

0.197 mg/mL at 25 °C

insoluble in water; soluble in alcohol and ether

(in ethanol)

Boiling Point · 2 件

232.00 to 233.00 °C. @ 760.00 mm Hg

233 °C

Melting Point-11.00 to -9.00 °C. @ 760.00 mm Hg

Refractive Index1.437-1.439

Physical Description · 3 件

Colorless liquid; [MSDSonline]

Liquid

colourless liquid

物理化学的性質

融点: 2 · 2-3 °C
沸点: 130 · 130-131 °C/28 mmHg (lit.) 229-231 °C (lit.)
比重(密度): 0.828 g/mL · 0.828 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.437(lit.)
FEMA: 3246 · 3246 | 2-UNDECANOL
闪点: 226 °F · 226 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Sparingly)
酸解離定数(Pka): 15.28 · 15.28±0.20(Predicted)
外見: clear liquid
色: Colorless to Almost colorless
臭い (Odor): 100 %で。新鮮なワックス状のきれいな布綿サルサパリラ · 100.00%で。新鮮なワックス状のきれいな布綿サルサパリラ
においのタイプ: ワックスっぽい
由来生物: synthetic
水溶解度: 混和しないか、水に混ざりにくい。アルコール、エチルエーテルに可溶。
JECFA Number: 297 · 297
BRN: 1719795 · 1719795
Henry's Law Constant: 1.2 · 1.2×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: 1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3
InChIKey: XMUJIPOFTAHSOK-UHFFFAOYSA-N
SMILES: CCCCCCCCCC(C)O
LogP: 4.41 · 4.41
CAS データベース: 1653 · 1653-30-1(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Undecanol (1653-30-1)

化学的性質

化学的特性2-Undecanol has a fatty odor with a fruity note. A fruity taste is also detectable at low concentration.

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 128 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Chemical: 2-Undecanol

2-Undecanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummaryAn irritant; [MSDSonline] See 1-Undecanol.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Aquatic Chronic 2 (100%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome；Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

法規制情報

Regulatory Information · 2 件

Chemical: 2-Undecanol

2-Undecanol: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 2
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
hs_code: 29051990
risk_code: 36/37/38-51/53
化審法: (2)-217, (2)-3704 優先評価化学物質
消防法: 危-4-3-III
hazard_code: Xi,N
safety_code: 26-36-61
Hazard Classifications: Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

薬理情報

Cellular LocationsExtracellular；Membrane

用途と製造

Use Classification · 4 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information2-Undecanol: ACTIVE

応用分野 · 3 件

天然物の起源The l-form is reportedly found in rue oil and in the essential oil of Litsea odorifera, the d-form occurs in coconut. Also reported found in fresh apple, banana, papaya, strawberry fruit, chive, roasted onion, ginger, other types of ginger, cheddar cheese, Camembert cheese, Gruyere cheese, cognac, Curcuma aeruginosa Roxb., Curcuma heyneana Val., hop oil, coconut, meat, milk, mushroom and sweet corn.

使用2-Undecanol is a useful chemical reagent. It is reported that 2-Undecanol can be converted into aldehyde or ketone under mild conditions in the presence of a copper-based catalyst.

一般的な説明2-Undecanol is a volatile fatty alcohol that is reported to occur as a flavor component of coconut meat, cheese and hopped beer.

調製方法

製造方法By reduction of methyl nonyl ketone with sodium metal in alcohol; the d-form is isolated from the optically inactive material via the corresponding phthalate and in its salt with strychnine and brucine.

上流・下流製品情報

上流原料

下流製品

1-ウンデカノール

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

補足説明

定義ChEBI: A fatty alcohol that is undecane carrying a single hydroxy substituent at position 2.

2-ウンデカノール

基本情報