基本情報
- 標準SMILES
CCCCCCCCCCCCCCC1CO1- InChIKey
DSZTYVZOIUIIGA-UHFFFAOYSA-N- 分子式
- C16H32O
- 平均分子量
- 240.42 g/mol
- 単同位体質量
- 240.24531564
概要
1,2-epoxyhexadecane appears as white waxy solid or clear colorless liquid. Faint pleasant odor. (NTP, 1992)
名称と識別子
- 優先名称
- 1,2-Epoxyhexadecane
- IUPAC
- 2-tetradecyloxirane
- 現地名
- 1,2-エポキシヘキサデカン
- 英語名
- 1,2-EPOXYHEXADECANE
- 分子式
- C16H32O
- 分子量
- 240.42
名称と別名
名称をさらに表示
データベース識別子
- CAS
7320-37-8- PubChem CID
- 23741
- DTXSID
DTXSID9025245- ChEMBL
CHEMBL1606644- ChEBI
CHEBI:34054- UNII
- B11674G91K
- EC Number
- 230-786-2
- Nikkaji
- J36.959D
物性
構造計算による物性
- XLogP
- 7.3
- 極性表面積
- 12.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 13
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 156
実験および物理化学的性質
Physical Description
1,2-epoxyhexadecane appears as white waxy solid or clear colorless liquid. Faint pleasant odor. (NTP, 1992)
Liquid
White solid or colorless liquid; Faint pleasant odor; [CAMEO] Liquid; [MSDSonline]
物理化学的性質
- 融点
- 21 · 21-22 °C (lit.)
- 沸点
- 175 · 175-180 °C/12 mmHg (lit.)
- 比重(密度)
- 0.846 g/mL · 0.846 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.446(lit.)
- 闪点
- 93 °C · 93 °C
- 貯蔵温度
- 2 · 2-8°C
- 外見
- powder to lump to clear liquid
- 色
- White or Colorless to Almost white or Almost colorless
- 比重
- 0.846 · 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
- 6.76 at · 6.76 at 25℃
- CAS データベース
- 7320 · 7320-37-8(CAS DataBase Reference)
- NISTの化学物質情報
- Oxirane, tetradecyl-(7320-37-8)
- EPAの化学物質情報
- 1 · 1,2-Epoxyhexadecane (7320-37-8)
安全と法規制
GHS分類
GHS Classification
Warning
H315 (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.
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation]
危険有害性情報
Regulatory Information
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/11256
Oxirane, tetradecyl-: Does not have an individual approval but may be used under an appropriate group standard
Health Hazards
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.
Hazards Summary
A tumorigen, mutagen, and primary irritant; [RTECS] A skin irritant and sensitizer; May cause loss of body weight, gastric irritation, and moderate liver damage; After inhalation may cause acute pulmonary edema; [CAMEO] An irritant; May cause skin sensitization; [MSDSonline]
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)
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin irritation - category 2
安全と保護具
First Aid
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.
Nonfire Spill Response
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)
毒性情報
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 DAYS; IT 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.
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- ML9450000
- hs_code
- 2910.90.9100
- risk_code
- 36/37/38
- 化審法
- (2)-220
- hazard_code
- Xi
- safety_code
- 26-36/37
- Hazard Classifications
- Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 10 - Combustible liquids
- 有毒物質データの
- 7320-37-8(Hazardous Substances Data)
化学と産業
薬理情報
用途と製造
Uses
Used as a chemical intermediate for surface-active agents, fabric softeners, cosmetic ingredients, textile finishes, and synthetic waxes; [HSDB]
CHEM INT FOR SURFACE-ACTIVE AGENTS, FABRIC SOFTENERS, COSMETIC INGREDIENTS, TEXTILE FINISHES, & SYNTHETIC WAXES
U.S. Exports
(1975) No Data
(1979) No Data
U.S. Imports
(1975) No Data
(1979) No Data
U.S. Production
2023: 1,000,000 - <8,500,000 lb
(1975) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1979) No Data
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
Oxirane, 2-tetradecyl-: ACTIVE
応用分野
用途有機合成原料。
一般的な説明White waxy solid or clear colorless liquid. Faint pleasant odor.
上流・下流製品情報
下流製品
サプライヤー50 社
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