基本情報
- 標準SMILES
CC(C)(C)OCC1CO1- InChIKey
SFJRUJUEMVAZLM-UHFFFAOYSA-N- 分子式
- C7H14O2
- 平均分子量
- 130.18 g/mol
- 単同位体質量
- 130.09937969
名称と識別子
- 優先名称
- 2-((1,1-Dimethylethoxy)methyl)oxirane
- IUPAC
- 2-[(2-methylpropan-2-yl)oxymethyl]oxirane
- 現地名
- tert-ブチル グリシジル エーテル
- 英語名
- TERT-BUTYL GLYCIDYL ETHER
- 分子式
- C7H14O2
- 分子量
- 130.18
名称と別名
名称をさらに表示
データベース識別子
- CAS
7665-72-7- PubChem CID
- 24314
- DTXSID
DTXSID4024692- ChEMBL
CHEMBL1569413- UNII
- 35F8X83D0G
- EC Number
- 231-640-0
- Nikkaji
- J65.719K
物性
構造計算による物性
- XLogP
- 0.8
- 極性表面積
- 21.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 3
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 93
実験および物理化学的性質
Flash Point
110 °F (NTP, 1992)
110 °F
Physical Description
T-butyl glycidyl ether is a clear colorless liquid. (NTP, 1992)
Clear liquid; [CAMEO]
物理化学的性質
- 融点
- -70 °C · -70°C
- 沸点
- 150 · 150-152 °C
- 比重(密度)
- 0.917 g/mL · 0.917 g/mL at 25 °C(lit.)
- 蒸気圧
- 6.26 hPa · 6.26hPa at 25℃
- 屈折率
- 20 · n20/D 1.417(lit.)
- 闪点
- 55 °C · 55°C
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- 水溶解度
- 90.3 g/L · 90.3g/L at 20℃
- 凝固点
- -70 · -70
- BRN
- 103483 · 103483
- InChI
- 1S/C7H14O2/c1-7(2,3)9-5-6-4-8-6/h6H,4-5H2,1-3H3
- InChIKey
- SFJRUJUEMVAZLM-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OCC1CO1
- LogP
- 0.97 at · 0.97 at 20℃
- CAS データベース
- 7665 · 7665-72-7(CAS DataBase Reference)
- EPAの化学物質情報
- tert-Butyl glycidyl ether (7665-72-7)
安全と法規制
GHS分類
GHS Classification
Danger
H224 (20.5%): Extremely flammable liquid and vapor [Danger Flammable liquids];H226 (79.5%): Flammable liquid and vapor [Warning Flammable liquids];H302 (57.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (20.5%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (63%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (79.5%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (41.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (58.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (20.9%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (62.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H341 (42.1%): Suspected of causing genetic defects [Warning Germ cell mutagenicity];H351 (42.1%): Suspected of causing cancer [Warning Carcinogenicity];H412 (63.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 254 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: Oxirane, [(1,1-dimethylethoxy)methyl]-
TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.
Status: Active Update: 04-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24489
Oxirane, (1,1-dimethylethoxy)methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Reactivity Profile
T-BUTYL GLYCIDYL ETHER, an ether, can act as a base. They form salts with strong acids and addition complexes with Lewis acids. The complex between diethyl ether and boron trifluoride is an example. Ethers may react violently with strong oxidizing agents. In other reactions, which typically involve the breaking of the carbon-oxygen bond, ethers are relatively inert.
Air and Water Reactions
Highly flammable. Ethers tend to form unstable peroxides when exposed to oxygen. Ethyl, isobutyl, ethyl tert-butyl, and ethyl tert-pentyl ether are particularly hazardous in this respect. Ether peroxides can sometimes be observed as clear crystals deposited on containers or along the surface of the liquid. Water soluble.
Hazard Classes and Categories
Flam. Liq. 1 (20.5%);Flam. Liq. 3 (79.5%);Acute Tox. 4 (57.9%);Acute Tox. 4 (20.5%);Skin Irrit. 2 (63%);Skin Sens. 1 (79.5%);Eye Dam. 1 (41.7%);Eye Irrit. 2 (58.3%);Acute Tox. 3 (20.9%);STOT SE 3 (62.6%);Muta. 2 (42.1%);Carc. 2 (42.1%);Aquatic Chronic 3 (63.8%)
Acute toxicity - category 4;Skin irritation - category 2;Eye irritation - category 2A;Skin sensitisation - category 1;Germ cell mutagenicity - category 2;Carcinogenicity - category 2;Reproductive toxicity - category 2;Specific target organ toxicity (single exposure) - category 3
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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated 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.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)
Isolation and Evacuation
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.;LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
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
法規制情報
Regulatory Information
Chemical: Oxirane, [(1,1-dimethylethoxy)methyl]-
TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.
Status: Active Update: 04-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24489
Oxirane, (1,1-dimethylethoxy)methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
安全データ
- F
- 9-21
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RR0475000
- ridadr
- UN 3271 3/PG 3
- hs_code
- 29109000
- risk_code
- 10-19-22-36-43
- 消防法
- 危-4-2-III
- hazard_code
- Xn
- safety_code
- 16-26-36/37
- hazard_class
- 3.2
- packing_group
- III
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Sens. 1
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
応用分野
一般的な説明Clear colorless liquid.
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