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아이소포론

아이소포론
아이소포론 구조식 이미지
카스 번호:
78-59-1
한글명:
아이소포론
동의어(한글):
아이소포론;이소포론;이소포론(I.P.R);3,5,5-트라이메틸사이클로헥스-2-엔온;3,5,5-트리메틸사이클로헥스-2-에논
상품명:
Isophorone
동의어(영문):
IPHO;Isoforon;Izoforon;ai3-00046;FEMA 3553;Isoforone;Isophoron;ISOPHORONE;NCI-C55618;caswellno506
CBNumber:
CB7743348
분자식:
C9H14O
포뮬러 무게:
138.21
MOL 파일:
78-59-1.mol

아이소포론 속성

녹는점
-8 °C (lit.)
끓는 점
213-214 °C (lit.)
밀도
0.923 g/mL at 25 °C (lit.)
증기 밀도
4.77 (vs air)
증기압
0.2 mm Hg ( 20 °C)
굴절률
n20/D 1.476(lit.)
FEMA
3553 | ISOPHORONE
인화점
184 °F
저장 조건
Store below +30°C.
용해도
14.5g/l
물리적 상태
Liquid
색상
Clear colorless to yellow
냄새
Like camphor.
폭발한계
0.8-3.8%(V)
수용성
Soluble in water (12g/L).
JECFA Number
1112
Merck
14,5196
BRN
1280721
Henry's Law Constant
(x 10-6 atm?m3/mol): 5.8 (calculated, U.S. EPA, 1980a)
노출 한도
TLV-TWA 25 mg/m3 (5 ppm); IDLH 800 ppm.
안정성
Stable. Substances to be avoided include strong bases, strong acids and strong oxidizing agents.
CAS 데이터베이스
78-59-1(CAS DataBase Reference)
NIST
2-Cyclohexen-1-one, 3,5,5-trimethyl-(78-59-1)
EPA
Isophorone (78-59-1)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xn
위험 카페고리 넘버 21/22-36/37-40
안전지침서 13-23-36/37/39-46
유엔번호(UN No.) UN 3082 9 / PGIII
WGK 독일 1
RTECS 번호 GW7700000
자연 발화 온도 864 °F
TSCA Yes
HS 번호 2914 29 00
유해 물질 데이터 78-59-1(Hazardous Substances Data)
독성 LD50 in male, female rats and male mice (mg/kg): 2700 ±200, 2100 ±200, 2200 ±200 orally (PB90-180225)
기존화학 물질 KE-34467
그림문자(GHS):
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H227 가연성 액체 인화성 액체 구분 4 경고 P210, P280, P370+P378, P403+P235,P501
H302 삼키면 유해함 급성 독성 물질 - 경구 구분 4 경고 P264, P270, P301+P312, P330, P501
H312 피부와 접촉하면 유해함 급성 독성 물질 - 경피 구분 4 경고 P280,P302+P352, P312, P322, P363,P501
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 P264, P280, P305+P351+P338,P337+P313P
H335 호흡 자극성을 일으킬 수 있음 특정 표적장기 독성 - 1회 노출;호흡기계 자극 구분 3 경고
H336 졸음 또는 현기증을 일으킬 수 있음 특정표적장기 독성 물질(1회 노출);마취작용 구분 3 경고 P261, P271, P304+P340, P312,P403+P233, P405, P501
H351 암을 일으킬 것으로 의심됨 (노출되어도 암을 일으키지 않는다는 결정적인 증거가 있는 노출경로가 있다면 노출경로 기재) 발암성 물질 구분 2 경고 P201, P202, P281, P308+P313, P405,P501
H402 수생생물에 유해함 수생 환경유해성 물질 - 급성 구분 3
예방조치문구:
P201 사용 전 취급 설명서를 확보하시오.
P202 모든 안전 조치 문구를 읽고 이해하기 전에는 취급하지 마시오.
P210 열·스파크·화염·고열로부터 멀리하시오 - 금연 하시오.
P261 분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P264 취급 후에는 손을 철저히 씻으시오.
P264 취급 후에는 손을 철저히 씻으시오.
P270 이 제품을 사용할 때에는 먹거나, 마시거나 흡연하지 마시오.
P271 옥외 또는 환기가 잘 되는 곳에서만 취급하시오.
P273 환경으로 배출하지 마시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
P308+P313 노출 또는 접촉이 우려되면 의학적인 조치· 조언를 구하시오.
P370+P378 화재 시 불을 끄기 위해 (Section 5. 폭발, 화재시 대처방법의 적절한 소화제)을(를) 사용하시오.
P405 밀봉하여 저장하시오.
P403+P233 용기는 환기가 잘 되는 곳에 단단히 밀폐하여 저장하시오.
P501 ...에 내용물 / 용기를 폐기 하시오.
NFPA 704
2
2 1

아이소포론 C화학적 특성, 용도, 생산

용도

페인트 및 바니시, 특히 PVDF 수지 및 폴리 아크릴 레이트, 알킬 드, 에폭시 및 페놀 수지 용 레벨링 제의 고비 점 용제 IPDA (이소 포론 디아민), IPDI (이소 포론 디 이소시아네이트) 및 3,5- 크 실레 놀
또한 제초제 및 살충제 제형에서 탁월한 유화 특성 및 높은 안정성을 나타내 었습니다.

개요

Isophorone has a slightly minty odor.

화학적 성질

Isophorone has a peppermint-like odor.

물리적 성질

Clear, colorless liquid with a sharp peppermint or camphor-like odor. Experimentally determined detection and recognition odor threshold concentrations were 1.1 mg/m3 (190 ppbv) and 3.0 μg/m3 (530 ppbv), respectively (Hellman and Small, 1974).

출처

Reported found in Burley tobacco, cranberry, macadamia nuts, peas, roasted filbert, saffron, wine, osmanthus, grapefruit juice, papaya, kohlrabi, Parmesan cheese, roast beef, black tea, oats, Japanese plum, prunes, plumcot, starfruit, mango, rice, buckwheat, okra and sweet grass oil.

용도

Solvent for lacquers, resins, and plastics

용도

Isophorone is used as a solvent for vinylresins and cellulose esters, and in pesticides.

용도

Solvent in some printing inks, paints, lacquers and adhesives.

정의

ChEBI: A cyclic ketone, the structure of which is that of cyclohex-2-en-1-one substituted by methyl groups at positions 3, 5 and 5.

Aroma threshold values

Detection: 0.20 ppm; aroma characteristics at 1.0%: cooling, woody, camphoraceous, slightly green and herbal

Taste threshold values

Taste characteristics at 30 ppm: sweet, green, waxy, pungent camphoreous, cooling minty

Synthesis Reference(s)

Synthetic Communications, 22, p. 1845, 1992 DOI: 10.1080/00397919208021315
Synthesis, p. 905, 1978 DOI: 10.1055/s-1978-24936

일반 설명

A clear colorless liquid, with a camphor-like odor. Less dense than water and insoluble in water. Boiling point 420°F. Flash point near 200°F. Contact irritates skin and eyes. Toxic by ingestion. Used as a solvent and in pesticides.

공기와 물의 반응

Insoluble in water.

반응 프로필

Ketones, such as Isophorone, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4. Forms explosive peroxides

위험도

Irritant to skin and eyes. Possible carcinogen.

건강위험

Isophorone is an irritant, moderately toxic athigh concentrations, mutagenic and possiblycarcinogenic. Inhalation of its vapors cancause mild irritation of the eyes, nose, andthroat. Exposure to 840 ppm for 4 hours resulted in severe eye irritation in guineapigs. Its irritation effect on human eyes maybe felt at 25–40 ppm. At concentrationsabove 200 ppm, it may cause irritation ofthe throat, headache, nausea, dizziness, and afeeling of suffocation (ACGIH 1986). In rats,exposure to 1840 ppm for 4 hours was fatal.Ingestion of isophorone can cause narcosis,dermatitis, headache, and dizziness.
LD50 value, oral (rats): 2330 mg/kg
Isophorone is mutagenic and when fed torats orally, 258 g/kg for 2 years, it causedkidney tumor. Its carcinogenicity on humansis not reported.

화재위험

Combustible.

화학 반응

Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

공업 용도

Isophorone is an excellent solvent for cellulose esters, nitrocellulose, natural and synthetic resins. Isophorone has a very high aromatic hydrocarbon dilution ratio in nitrocellulose formulations: 5.7 for toluene and 5.1 for xylene. The excellent solvency of isophorone allows the preparation of 45% solids nitrocellulose solutions at room temperatures.

Chemical Synthesis

Isophorone is an intermediate in the synthesis of 3,5-xylenol, 3,3,5-trimethylcyclohexanol

Carcinogenicity

In a 2 year bioassay in rats and mice (conducted by gavage on a 5- day/week treatment schedule) at dose levels of 0, 250, and 500 mg/kg/day isophorone, there was decreased survival of male rats and slight nephrotoxicity in female rats. There was no evidence of carcinogenicity in female rats or mice. In male rats, there was an increase in renal tumors in animals given either 250 or 500 mg/kg/day, and a low incidence of preputial gland tumors at 500 mg/kg. Other proliferative lesions in male rats included hyperplasia of the renal pelvis and tubular cell hyperplasia.

환경귀착

Biological. The pure culture Aspergillus niger biodegraded isophorone to 3,5,5-trimethyl-2- cyclo-hexene-1,4-dione, 3,5,5-trimethylcyclohexane-1,4-dione, (S)-4-hydroxy-3,5,5-trimethyl-2- cyclohex-1-one, and 3-hydroxymethyl-5,5-dimethyl-2-cyclohexen-1-one (Mikami et al., 1981).
Chemical/Physical. At an influent concentration of 1,000 mg/L, treatment with GAC resulted in an effluent concentration of 34 mg/L. The adsorbability of the carbon used was 193 mg/g carbon (Guisti et al., 1974).
Isophorone will not hydrolyze in water.
At influent concentrations of 10, 1.0, 0.1, and 0.001 mg/L, the GAC adsorption capacities were 78.3, 32.0, 13.1, and 5.4 mg/g, respectively (Dobbs and Cohen, 1980).

Purification Methods

Wash isophorone with aqueous 5% Na2CO3 and then distil it under reduced pressure immediately before use. Alternatively, it can be purified via the semicarbazone. [Erskine & Waight J Chem Soc 3425 1960, Beilstein 7 IV 165.]

Toxicity evaluation

The toxicological mechanisms of isophorone are not well characterized. Critical effects include irritation, narcosis, malaise, fatigue, and CNS depression. Isophorone may induce its neurological effects by interference with neuronal impulse transmissions via physical interaction with nerve membrane components. In animal models, isophorone may also act by inducing neuropathy, involving binding to globulin proteins, although this mechanism may not be relevant to humans. Lesions of the liver have been observed after overexposure in mouse models, although it is not clear whether isophorone elicited the lesions directly or by enhancing an age-related process. DNA-binding studies in mice have shown no significant covalent binding of isophorone or its metabolites to DNA from liver or kidney cells, supporting a potential nongenotoxic mechanism of toxicity.

폐기물 처리

Incineration.

아이소포론 준비 용품 및 원자재

원자재

준비 용품


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