이소부탄올
1-프로판올,2-메틸- · 1-히드록시메틸프로판 · 2-메틸-1-프로판올 · 2-메틸프로판-1-올 · 2-메틸프로필알콜 · IBA79,부틸알콜 · 발효부틸알 · 부탄
식별자 및 물리적 특성
| CAS No. | 78-83-1 |
|---|---|
| 분자식 | C4H10O |
| 평균 분자량 | 74.12 g/mol |
| 단동위원소 질량 | 74.07316494 g/mol |
| SMILES | CC(C)CO |
| InChIKey | ZXEKIIBDNHEJCQ-UHFFFAOYSA-N |
| PubChem CID | 6560 |
| ChEMBL | CHEMBL269630 |
| ChEBI | CHEBI:46645 |
| EC No. | 201-148-0 |
| DTXSID | DTXSID0021759 |
| 현지명 | 이소부탄올 |
화학 및 물리적 성질
| XLogP | 0.8 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 5 |
| 형식 전하 | 0 |
| 복잡도 | 17.6 |
| 물질 분류 | Flammable agents - 3rd degree |
| 지질 | Fatty Acyls [FA] -> Fatty alcohols [FA05] |
| Solvents | Solvents -> Alcohols (<C12) |
| 화장품 | Cosmetics ingredient -> Fragrance |
| SpringerMaterials Properties | Acentric factor |
| 향료 | Fragrance Ingredient (Isobutyl alcohol) -> IFRA transparency List |
| 농약 | Pesticide -> EPA IRIS |
| LogP(분배 계수) | log Kow = 0.760.8 |
| 냄새 | Sweet, musty odorOdor like that of amyl alcohol, but weakerPenetrating, wine-like, disagreeable odorSuffocating odor of fusel oilSlightly suffocatingnonresidual alcoholic약간 숨이 막힐 듯한 냄새, 잔류물 없음, 알코올 |
| 맛 | Sweet whiskey taste |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.802 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8018 g/cu cm at 24 °CLiquid heat capacity: 0.554 BTU/lb-F at 70 °FLiquid thermal conductivity: 0.911 Btu-inch/hr-sq ft-F at 75 °FSaturated vapor density: 0.00218 lb/cu ft at 70 °FIdeal gas heat capacity: 0.392 BTU/lb-F at 75 °FRelative density (water = 1): 0.800.799-0.8010.803 g/mL at 25 °C (lit.) |
| 녹는점 | -108 °C (lit.) |
| 끓는 점 | 108 °C (lit.) 108 °C |
| 증기 밀도 | 2.55 (vs air) |
| 증기압 | 8 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.396(lit.) |
| FEMA | 2179 | ISOBUTYL ALCOHOL |
| 인화점 | 82 °F |
| 저장 조건 | Store at +5°C to +30°C. |
| 용해도 | 물: 20°C에서 혼화성70g/L |
| pKa(산도 계수) | >14 (Schwarzenbach et al., 1993) |
| 물리적 상태 | 고체 |
| 색상 | APHA: ≤10 |
| pH | 7 (80g/l, H2O, 20℃) |
| 폭발한계 | 1.5-12%(V) |
| 후각 역치 | 0.011ppm |
| 생물학적 소스 | synthetic |
| 향취 유형 | 미묘한 |
| 용해도 | 95g/L(20℃) |
| 비열 | Cp(liquid): 2.45 J/(g·K), at 25℃ |
| JECFA Number | 251 |
| Merck | 14,5131 |
| BRN | 1730878 |
| 헨리 상수 | 20.0 at 30.00 °C, 72.2 at 50.00 °C, 133 at 60.00 °C, 216 at 70.00 °C, 330 at 80.00 °C (headspace- GC, Hovorka et al., 2002) |
| 유전율 | 31.7(-80℃) |
| 안정성 | 안정적인. 가연성. 강한 산화제, 알루미늄과 호환되지 않습니다. |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 |
| InChIKey | ZXEKIIBDNHEJCQ-UHFFFAOYSA-N |
| SMILES | CC(C)CO |
| LogP(분배 계수) | 1 at 25℃ |
| 표면장력 | 22.92mN/m at 293.15K |
| NIST | 1-Propanol, 2-methyl-(78-83-1) |
| EPA | Isobutanol (78-83-1) |
화학적 성질
Isobutyl alcohol has a penetrating, wine-like, disagreeable odor
안전 및 규제
| GHS 분류 | DangerH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 3818) of reports.H226 (99.7%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: 1-Propanol, 2-methyl-Hazard Traits - NeurotoxicityRegulation (EC) No 1831/2003 (amended)1-Propanol, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanol, 2-methyl- 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: 14-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/150921-Propanol, 2-methyl-: HSNO Approval: HSR001097 Approved with controls |
| 기타 안전 정보 | IMAP assessments - 1-Propanol, 2-methyl-: Human health tier II assessment |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Flammable. Above 28 °C explosive vapour/air mixtures may be formed. |
| 화재 가능성 | Flammable in the presence of a source of ignition when the temperature is above the flash point. Keep away from heat/sparks/open flame/ hot surface. No smoking.Dangerous fire hazard when exposed to heat or flame. |
| 건강 유해성 | Contact with eyes is extremely irritating and may cause burns. Breathing vapors will be irritating to the nose and throat. In high concentrations, may cause nausea, dizziness, headache, and stupor. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
| 유해성 요약 | In mice, 6400 ppm produces narcosis, but not death. [ACGIH] A skin, eye, and respiratory tract irritant |
용도
용도
(1)에 대 한 분석 시 약, 크로마토그래피 시 약, 용 제 및 추출 에이전트. 유기 합성, 그리고 또한 우수한 용 매 역할에 대 한 (2)으로 원시 자료. (3) Isobutanol은 유기 합성의 원료. 그것은 주로 isobutyronitrile, 디 아 지 논에 대 한 중간의 합성에 사용 된다. (4)으로 유기 합성의 원료, isobutanol 석유 첨가제, 산화 방지 제, 2의 제조에 사용 된다 6-butylated로, isobutyl 아세테이트 (페인트 용), 가소제, 합성 고무, 인공 사향, 과일 기름 및 합성 마약입니다. 그것은 수 또한 스트론튬, 바 륨, 리튬 염 및 기타 화학 시 약을 정화 하는 데 사용 되며 우수한 용 매로 사용. (5) 추출 용 매입니다. GB 2760-96에에서 나열 된 음식 맛입니다.
개요
Isobutyl alcohol has a disagreeable odor. May be prepared from isobutylene; by reduction of isobutyraldehyde with sodium amalgam or in the presence of a catalyst; by fermentation of isobutyraldehyde; isolated during fermentation of carbohydrates.
출처
Reported found in the essential oils of Java citronella, tea, Eucalyptus amygdalina. Also reported in apple and currant aromas; in apricots, banana, sweet cherry, orange, grapefruit and tangerine juice, berries, guava, grapes, melon, papaya, pear, pineapple, leek, peas, rutabaga, tomato, ginger, spearmint oil, vinegar, breads, cheeses, milk, fish oil, meats, hop oil, beer, cognac, rum, whiskies, sherry, cider, grape wines, cocoa, tea, coffee, nuts, oats, soybean, avocado, olive, passion fruit, plum, beans, mango, starfruit, bantu beer, plum brandy, tamarind, fig, cardamom, gin, quince, radish, prickly pear, litchi, sukiyaki, lovage leaf, buckwheat, sweet corn, laurel, malt, wort, elderberry juice, dried bonito, krill, kiwifruit, loquat, fruit brandies and wines, endive, shrimp, truffle, red currants, Roman chamomile oil and other sources.
용도
2-Methyl-1-propanol (Isobutyl alcohol) may be used to prepare the isobutyl alcohol-benzene solution for use in the quantification of inorganic phosphates. It may be used for the estimation of phosphate (inorganic phosphorous) by a colorimetric method.
일반 설명
A clear colorless liquid with a sweet odor. Flash point 85 - 100°F. Less dense than water. Vapors heavier than air.
제조 및 합성 방법
생산 방법
Isobutanol is commercially produced almost exclusively by the hydrogenation of isobutyraldehyde obtained from propylene using the oxo process.
제조 방법
From isobutylene; by reduction of isobutyraldehyde with sodium amalgam or in the presence of a catalyst; by fermentation of isobutyraldehyde; isolated during fermentation of carbohydrates