Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Isodecanol
아이소데실알코올 · 아이소데칸올 · 이소데실알코올 · 이소데칸올 · 아이소데칸올(ISODECANOL) · 아이소데실 알코올 · Isodecyl alcohol · 8-Methylnonane-1-ol
식별자 및 물리적 특성
| CAS No. | 25339-17-7 |
|---|---|
| 분자식 | C10H22O |
| 평균 분자량 | 158.28 g/mol |
| 단동위원소 질량 | 158.16706532 g/mol |
| SMILES | CC(C)CCCCCCCO |
| InChIKey | PLLBRTOLHQQAQQ-UHFFFAOYSA-N |
| PubChem CID | 32898 |
| EC No. | 246-869-1 |
| DTXSID | DTXSID3058660 |
| 현지명 | 아이소데칸올 |
화학 및 물리적 성질
| XLogP | 3.8 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 69.3 |
| Solvents | Solvents -> Alcohols (<C12) |
| SpringerMaterials Properties | Chemical shift |
| 향료 | Fragrance Ingredient (Isodecyl alcohol) -> IFRA transparency List |
| 냄새 | WEAK ALCOHOLIC아주 가벼운 알코올 냄새. |
| 밀도 | 0.841 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8395Relative density (water = 1): 0.840.838 g/mL at 20 °C |
| Color/Form | Colorless liquid |
| 용해도 | Insoluble in waterSolubility in water, g/100ml: 2.5벤젠(난용성), 클로로포름 (약간 용해됨) |
| 인화점 | 220 °F (USCG, 1999)104 °C o.c.95 °C |
| 끓는 점 | 428 °F at 760 mmHg (USCG, 1999)220 °C215-225 °C |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| 녹는점 | less than 140 °F (USCG, 1999)FP: LESS THAN 140 °F= LESS THAN 60 °C= LESS THAN 333 DEG K7 °C-60°C |
| 증기 밀도 | 5.5 (AIR= 1)Relative vapor density (air = 1): 5.5 |
| 굴절률 | n20/D 1.440 |
| 저장 조건 | Refrigerator |
| 물리적 상태 | 기름 |
| 색상 | 무색 |
| 헨리 상수 | 1.8×10-1 mol/(m3Pa) at 25℃, HSDB (2015) |
| 화장품 원료 기능 | 향수 |
| InChI | InChI=1S/C10H22O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3 |
| InChIKey | PLLBRTOLHQQAQQ-UHFFFAOYSA-N |
| SMILES | C(CCC(C)C)CCCCO |
| LogP(분배 계수) | 3.740 (est) |
| EPA | Isodecanol (25339-17-7) |
화학적 성질
Colorless liquid.Insoluble in water. Combustible.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 20.3% (95 of 469) of reports.WarningH315 (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. |
|---|---|
| 규제 정보 | Chemical: IsodecanolIsodecanol 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 |
| 운송 라벨(DOT) | Class 9 |
| 화재 위험 | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:Combustible. |
| 화재 가능성 | Combustible when exposed to heat or flame. |
| 건강 유해성 | Direct contact with skin can produce irritation. (USCG, 1999) |
| 유해성 요약 | A skin, eye, and respiratory tract irritantMay cause CNS depressionDefats the skin[ICSC] Higher alcohols are not highly toxic in the industrial settingCan cause liver injury, somnolence, and respiratory depression in experimental animalsCan cause smarting of the skinExtended 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] |
| 반응성 그룹 | Alcohols and Polyols |
| Reactivity Profile | ISODECYL ALCOHOL attacks plastics. REF [Handling Chemicals Safely, 1980. p. 236]. Acetyl bromide reacts violently with alcohols or water, [Merck 11th ed., 1989]. Mixtures of alcohols with concentrated sulfuric acid and strong hydrogen peroxide can cause explosions. Example: An explosion will occur if dimethylbenzylcarbinol is added to 90% hydrogen peroxide then acidified with concentrated sulfuric acid. Mixtures of ethyl alcohol with concentrated hydrogen peroxide form powerful explosives. Mixtures of hydrogen peroxide and 1-phenyl-2-methyl propyl alcohol tend to explode if acidified with 70% sulfuric acid, [Chem. Eng. News 45(43):73(1967)J, Org. Chem. 28:1893(1963)]. Alkyl hypochlorites are violently explosive. They are readily obtained by reacting hypochlorous acid and alcohols either in aqueous solution or mixed aqueous-carbon tetrachloride solutions. Chlorine plus alcohols would similarly yield alkyl hypochlorites. They decompose in the cold and explode on exposure to sunlight or heat. Tertiary hypochlorites are less unstable than secondary or primary hypochlorites, [NFPA 491 M, 1991]. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)]. |
| 대기 기준 | 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. |
| Chemical Dangers | Reacts with strong oxidants. |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| NFPA Hazard Classification | 0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.0 - Materials that in themselves are normally stable, even under fire conditions. |
| 소화 | Fire Extinguishing Agents Not to Be Used: Water or foam may cause frothingUse powder, carbon dioxide, foam. Water may be ineffective. |
| 응급 조치 | 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 . |
| 응급 처치 | Wash affected area with water for 15 min. (USCG, 1999) |
| 안전 보관 | Separated from strong oxidants. |
| 소화 절차 | Extinguish with dry chemical, alcohol foam, or carbon dioxide. Water may be ineffective on fire. |
| 보관 조건 | 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 ... |
| 정리 방법 | Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent and remove to safe place. |
| 비화재 누출 대응 | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| 처리 방법 | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations. |
| 누출 처리 | Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. |
| Isolation and Evacuation | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| Eye Prevention | Wear safety goggles. |
| 생태독성 수치 | LC50 Artemia salina (Brine shrimp) 3.4 mg/L/24 hrstatic /formulated product/LC50 Nitocra spinipes (Harpacticoid copepod) 1.3 mg/L/96 hr (95% confidence limit: 1.0-1.7 mg/L) |
| 환경 거동 | 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). |
| 유해 작용 | Neurotoxin - Acute solvent syndrome |
| 노출 경로 | The substance can be absorbed into the body by inhalation, through the skin and by ingestion. |
| Signs and Symptoms | Cough. Dizziness. Lethargy. Headache. Nausea. Sore throat.Dry skin. Redness.Redness. Pain.Diarrhoea. Vomiting. Further see Inhalation. |
| ICSC Environmental Data | This substance may be hazardous to the environment. Special attention should be given to fish. |
| Soil Adsorption/Mobility | Using a structure estimation method based on molecular connectivity indices(1), the Koc of isodecyl alcohol can be estimated to be 81(SRC). According to a classification scheme(2), this estimated Koc value suggests that isodecyl alcohol is expected to have high mobility in soil. |
| Human Toxicity Excerpts | /SIGNS AND SYMPTOMS/ The substance irritates the eyes, the skin and the respiratory tract. Exposure could cause central nervous system depression./SIGNS AND SYMPTOMS/ Direct contact with skin can produce irritation. ... Vapors are non-irritating to the eyes and throat. Causes smarting of skin and first-degree burns on short exposuremay cause secondary burns on long exposure. |
| Artificial Pollution Sources | Isodecyl alcohol's use as an intermediate for the production of plasticizers(1) and as an antifoaming agent in textile processing(2) may result in its release to the environment through various waste streams(SRC). |
| Environmental Biodegradation | AEROBIC: In sewage, isodecyl alcohol gave a theoretical oxygen demand of 24, 44, 42 and 39 percent in 5, 10, 15 and 20 days, respectively(1). In acclimated sewage isodecyl alcohol gave theoretical oxygen demand of 14, 26, 45 and 32 percent in 5, 10, 15 and 20 days, respectively(1). Isodecyl alcohol gave theoretical oxygen demand of 6, 17, 34 and 40 percent in 5, 10, 15 and 20 days, respectively, in seawater(1). In a manometric study of poorly soluble compounds, isodecyl alcohol degraded 17.4 and 22.4 percent of ultimate BOD/theoretical oxygen demand with 10 minutes of sonification(2). |
| Environmental Bioconcentration | An estimated BCF of 145 was calculated for isodecyl alcohol(SRC), using an estimated log Kow of 3.71(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC), provided the compound is not metabolized by the organism(SRC). |
| Volatilization from Water/Soil | The Henry's Law constant for isodecyl alcohol is estimated as 5.5X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that isodecyl alcohol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 24 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 11 days(SRC). Isodecyl alcohol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Isodecyl alcohol is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.07X10-2 mm Hg(SRC), determined from a fragment constant method(3). |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | NR0960000 |
| 운송 번호(UN) | 3082 |
| 위험 문구(R) | 36 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 포장분류 | III |
| 위험 등급 | 9 |
| 기존화학 물질 | KE-21504 |
| 유해 물질 데이터 | 25339-17-7(Hazardous Substances Data) |
용도
용도
Isodecanol is a useful component for anti-wear lubricating oil.
일반 설명
Colorless liquid with a mild alcohol odor. Floats on water.
제조 및 합성 방법
생산 방법
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.