Isodecanol

HCID 32898CAS 25339-17-7

基本情報

標準SMILES
CC(C)CCCCCCCO
InChIKey
PLLBRTOLHQQAQQ-UHFFFAOYSA-N
分子式
C10H22O
平均分子量
158.28 g/mol
単同位体質量
158.16706532

概要

Isodecyl alcohol is a colorless liquid with a mild alcohol odor. Floats on water. (USCG, 1999)

名称と識別子

優先名称
Isodecanol
IUPAC
8-methylnonan-1-ol
現地名
8-メチル-1-ノナノール
英語名
Isodecanol
分子式
C10H22O
分子量
158.28

名称と別名

Isodecanol25339-17-7ISODECYL ALCOHOLExxal 103160X491M7RefChem:923673DTXSID4027864246-869-18-methylnonan-1-ol8-methyl-1-nonanol8-Methylnonanol55505-26-5
名称をさらに表示
8-メチル-1-ノナノールイソデカノールイソデシルアルコール8-メチルノナン-1-オールイソデカノ-ルイソデシルアルコルデシルアルコールデシルアルコール (イソデカノール)デシルアルコール (イソデシルアルコール)8-Methylnonane-1-olDECANOL MIXTURE OF ISOMERSisodecylIsodecanoIsodesyl alcoholDECANOL-ISOMERENGEMISCH
1-Nonanol, 8-methyl-8-Methyl-1-nonyl AlcoholMFCD00044085iso-DecylalcoholHSDB 616EINECS 246-869-1UNII-3160X491M78-Methyl-nonan-1-ol

データベース識別子

CAS
25339-17-7、55505-26-5、68551-08-6
PubChem CID
32898
DTXSID
DTXSID3058660
UNII
3160X491M7
EC Number
246-869-1
Nikkaji
J71.269H

物性

構造計算による物性

XLogP
3.8
極性表面積
20.2 Ų
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
7
重原子数
11

実験および物理化学的性質

SolventsSolvents -> Alcohols (<C12)
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (Isodecyl alcohol) -> IFRA transparency List
OdorWEAK ALCOHOLIC
Density · 3 件

0.841 at 68 °F (USCG, 1999) - Less dense than water; will float

0.8395

Relative density (water = 1): 0.84

Color/FormColorless liquid

物理化学的性質

融点
-60 °C · -60°C
沸点
215 · 215-225 °C
比重(密度)
0.838 g/mL · 0.838 g/mL at 20 °C
屈折率
20 · n20/D 1.440
闪点
95 °C · 95 °C
貯蔵温度
Refrigerator

化学的性質

化学的特性Colorless liquid.Insoluble in water. Combustible.

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 20.3% (95 of 469) of reports.

Warning

H315 (60.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 469 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 3 件

Chemical: Isodecanol

Isodecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isodecanol 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)

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

DOT LabelClass 9
Fire Hazards · 2 件

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:

Combustible.

Fire PotentialCombustible when exposed to heat or flame.
Health HazardsDirect contact with skin can produce irritation. (USCG, 1999)
Hazards Summary · 1 件

A skin, eye, and respiratory tract irritant; May cause CNS depression; Defats the skin; [ICSC] Higher alcohols are not highly toxic in the industrial setting; Can cause liver injury, somnolence, and respiratory depression in experimental animals; Can cause smarting of the skin; Extended exposure may cause second degree burns; [HSDB] A skin irritant; [CAMEO] Causes hepatitis in feeding studies of rats; [RTECS] Causes malformations at doses that are maternally toxic; [REPROTOX] An eye irritant; [MSDSonline]

安全と保護具

Fire Fighting · 2 件

Fire Extinguishing Agents Not to Be Used: Water or foam may cause frothing

Use powder, carbon dioxide, foam. Water may be ineffective.

First Aid Measures · 4 件

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Rest. Refer for medical attention .

First AidWash affected area with water for 15 min. (USCG, 1999)
Safe StorageSeparated from strong oxidants.
Fire Fighting ProceduresExtinguish with dry chemical, alcohol foam, or carbon dioxide. Water may be ineffective on fire.
Storage Conditions · 1 件

Materials which are toxic as stored or which can decompose into toxic components ... should be stored in a cool well ventilated place, out of the direct rays of the sun, away from areas of high fire hazard, and should be periodically inspected. Incompatible materials should be isolated ...

毒性情報

Ecotoxicity Values · 2 件

LC50 Artemia salina (Brine shrimp) 3.4 mg/L/24 hr; static /formulated product/

LC50 Nitocra spinipes (Harpacticoid copepod) 1.3 mg/L/96 hr (95% confidence limit: 1.0-1.7 mg/L); static /formulated product/

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 80(SRC), determined from a structure estimation method(2), indicates that isodecyl alcohol is expected to have high mobility in soil(SRC). Volatilization of isodecyl alcohol from moist soil surfaces may be an important fate process(SRC) given an estimated Henry's Law constant of 5.5X10-5 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Isodecyl alcohol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.1X10-2 mm Hg(SRC), determined from a fragment constant method(4). Theoretical BOD values of 14-24% in 5 days(5) indicate that biodegradation may be an important environmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 80(SRC), determined from a structure estimation method(2), indicates that isodecyl alcohol is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces may be expected(3) based upon an estimated Henry's Law constant of 5.5X10-5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 24 hours and 11 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 145(SRC), from an estimated log Kow of 3.71(6), and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is high(SRC). Theoretical BOD values of 14-24% in 5 days(8) indicate that biodegradation may be an important environmental fate process in water.

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), isodecyl alcohol, which has an estimated vapor pressure of 2.1X10-2 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isodecyl alcohol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 25 hours(SRC), calculated from its rate constant of 1.5X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by inhalation, through the skin and by ingestion.
Signs and Symptoms · 4 件

Cough. Dizziness. Lethargy. Headache. Nausea. Sore throat.

Dry skin. Redness.

Redness. Pain.

Diarrhoea. Vomiting. Further see Inhalation.

ICSC Environmental DataThis substance may be hazardous to the environment. Special attention should be given to fish.

法規制情報

Atmospheric Standards · 1 件

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Isodecyl alcohol is produced, as an intermediate or a final product, by process units covered under this subpart.

安全データ

tsca
TSCA listed
rtecs
NR0960000
ridadr
3082
PRTR法
第1種指定化学物質
risk_code
36
化審法
優先評価化学物質

化学と産業

用途と製造

Uses · 5 件

Used as an antifoaming agent in textile processing, in synthetic lubricants, in uranium refining, as a specialty solvent, and to make plasticizers; [HSDB]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

Production of plasticizers

Antifoaming agent in textile processing

Chemical intermediate for the plasticizer, diisodecyl phthalate; ingredient in synthetic lubricants; agent in uranium refining; specialty solvent; antifoaming agent in textile processing.

ImpuritiesBy-products of propylene-butylene polymerization/to produce isodecyl alcohol/are isooctyl and isononyl alcohols
U.S. Exports · 3 件

(1972) No Data

(1975) No Data

(1986) No Data

U.S. Imports · 3 件

(1972) No Data

(1975) No Data

(1984) 7.48X10+9 g/DECYL ALCOHOLS/

U.S. Production · 6 件

2023: <25,000 lb

This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

(1972) 6.8X10+10 GRAMS

(1973) 7.91X10+10 GRAMS

(1980) 59,000 tonnes

For more U.S. Production (Complete) data for ISODECYL ALCOHOL (9 total), please visit the HSDB record page.

Consumption PatternsApprox 70% as a chem int for the plasticizer, diisodecyl phthalate; approx 30% for all other uses (1972)
応用分野 · 3 件

用途可塑剤(DIDP,DIDA)原料,潤滑剤?塩ビ安定剤原料

使用Isodecanol is a useful component for anti-wear lubricating oil.

一般的な説明Colorless liquid with a mild alcohol odor. Floats on water.

調製方法 · 1 件

Isodecyl alcohol, or the C10 oxo alcohols, are made in the oxo process by reacting nonenes with carbon monoxide and hydrogen in the presence of a catalyst, followed by hydrogenation. The commercial product typically consists of trimethyl-1-heptanols and dimethyl-1-octanols; the composition and CAS registry number depend on the olefin feedstock.

上流・下流製品情報

サプライヤー26 社

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]

補足説明

定義Mixed isomers.

関連反応

32 件

関連ノート

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