Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,2-Epoxyhexadecane
Oxirane, tetradecyl- · tetradecyl-Oxirane · 2-Tetradecyloxirane · UVR-6216 · NCI-C55538 · hexadeceneepoxide · hexadecyleneoxide · tetradecyl-oxiran
식별자 및 물리적 특성
| CAS No. | 7320-37-8 |
|---|---|
| 분자식 | C16H32O |
| 평균 분자량 | 240.42 g/mol |
| 단동위원소 질량 | 240.24531564 g/mol |
| SMILES | CCCCCCCCCCCCCCC1CO1 |
| InChIKey | DSZTYVZOIUIIGA-UHFFFAOYSA-N |
| PubChem CID | 23741 |
| ChEMBL | CHEMBL1606644 |
| ChEBI | CHEBI:34054 |
| EC No. | 230-786-2 |
| DTXSID | DTXSID9025245 |
화학 및 물리적 성질
| XLogP | 7.3 |
|---|---|
| 극성 표면적 | 12.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 13 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 156 |
| Polymers | Plastics & Rubber -> Epoxides |
| 밀도 | 0.849 at 68 °F (NTP, 1992) - Less dense than waterwill float0.846 g/mL at 25 °C (lit.) |
| 용해도 | Reaction (NTP, 1992) |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 끓는 점 | 518 to 527 °F at 760 mmHg (NTP, 1992)175-180 °C/12 mmHg (lit.) |
| 녹는점 | 77 to 81 °F (NTP, 1992)21-22 °C (lit.) |
| Physical Description | 1,2-epoxyhexadecane appears as white waxy solid or clear colorless liquid. Faint pleasant odor. (NTP, 1992)White solid or colorless liquidFaint pleasant odor[CAMEO] Liquid[MSDSonline] |
| 굴절률 | n20/D 1.446(lit.) |
| 인화점 | 93 °C |
| 저장 조건 | 2-8°C |
| 물리적 상태 | powder to lump to clear liquid |
| 색상 | White or Colorless to Almost white or Almost colorless |
| 비중 | 0.846 |
| InChI | InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h16H,2-15H2,1H3 |
| InChIKey | DSZTYVZOIUIIGA-UHFFFAOYSA-N |
| SMILES | O1CC1CCCCCCCCCCCCCC |
| LogP(분배 계수) | 6.76 at 25℃ |
| NIST | Oxirane, tetradecyl-(7320-37-8) |
| EPA | 1,2-Epoxyhexadecane (7320-37-8) |
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 600 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H315: Causes skin irritation [Warning Skin corrosion/irritation] |
|---|---|
| 규제 정보 | Chemical: Oxirane, tetradecyl-Oxirane, 2-tetradecyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Oxirane, 2-tetradecyl- 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: 25-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11256Oxirane, tetradecyl-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Long-chain alkyl oxiranes: Human health tier II assessment |
| 화재 위험 | Flash point data are not available for this chemical, but it is probably combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Exposure to this compound may result in skin irritation which is characterized by localized lesions, redness, swelling and itching. Chronic symptoms include loss of body weight, gastric irritation and moderate liver damage. Prolonged inhalation may cause acute pulmonary edema or chemical pneumonia. It also causes sensitization. |
| 유해성 요약 | A tumorigen, mutagen, and primary irritant[RTECS] A skin irritant and sensitizerMay cause loss of body weight, gastric irritation, and moderate liver damageAfter inhalation may cause acute pulmonary edema[CAMEO] An irritantMay cause skin sensitization[MSDSonline] |
| 반응성 그룹 | Epoxides |
| Reactivity Alerts | Polymerizable |
| Reactivity Profile | The neat compound, 1,2-EPOXYHEXADECANE, is sensitive to prolonged exposure to heat. It is also moisture sensitive. This material reacts with inorganic acids, thiosulfate, carboxylic acids, hydrogen cyanide, water, amines, aldehydes, alcohols, and caustics. It will also react with amino, hydroxyl and carboxyl groups. (NTP, 1992) |
| Air and Water Reactions | Moisture sensitive. Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Skin irritation - category 2 |
| 소화 | Fires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| 유해 작용 | 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. |
| TSCA Test Submissions | Alpha-olefin epoxide C-16 was examined for mutagenic activity in Salmonella typhimurium tester strains TA98, TA100, TA1535, TA1537 and TA1538 with and without metabolic activation provided by Aroclor-induced rat liver S9 fraction. The test article was not mutagenic when administered by the plate incorporation method at five concentrations ranging from 0.1 to 10 mg/plate in the presence and absence of activation. Toxicity to cells was apparent at 10 mg/plate, both in the mutagenicity test and in a preliminary toxicity test.The ability of tetradecyloxirane (TDO) to induce Sister Chromatid Exchange (SCE) in Chinese hamster ovary (CHO) cells was evaluated both in the presence and absence of Aroclor-induced rat liver S9 metabolic activation. Based on preliminary toxicity tests, TDO, diluted with ethanol, was tested at concentrations of 0, 0.015, 0.025 or 0.04 mg/ml without activation and at concentrations of 0, 0.1, 0.15 or 2.0 mg/ml with activation. Twenty-five cells were examined per dose level. None of the concentrations tested with activation induced a statistically significant increase in the frequency of SCE relative to controls. The highest dose-level of TDO tested without activation induced a statistically significant increase in the frequency of SCE relative to controls when the data of two runs were combined and compared to the solvent controls (0.05 > p > 0.01, transformation of values according to a published conversion method), although the data from the individual runs was not significantly different from controls (p > 0.05). |
| Non-Human Toxicity Excerpts | IN ICR/HA SWISS MICE BY DERMAL ROUTE @ 10 MG, 3 TIMES WEEKLY IN ACETONE FOR 427 DAYSIT PRODUCED 2/41 PAPILLOMAS & 1/41 SQUAMOUS, CONSIDERED ACTIVE. /FROM TABLE/1-HEXADECENE IS METABOLIZED TO 1,2-DIHYDROXYHEXADECANE VIA 1,2-EPOXYHEXADECANE, WHICH CAUSES MOUSE SKIN TUMORS. |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | ML9450000 |
| 관세 코드 | 2910.90.9100 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36/37 |
| 위험 등급 | Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 10 - Combustible liquids |
| 유해 물질 데이터 | 7320-37-8(Hazardous Substances Data) |
용도
일반 설명
White waxy solid or clear colorless liquid. Faint pleasant odor.