識別子と物理属性
| CAS No. | 105-57-7 |
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| 分子式 | C6H14O2 |
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| 平均分子量 | 118.17 g/mol |
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| 単同位体質量 | 118.09937969 g/mol |
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| SMILES | CCOC(C)OCC |
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| InChIKey | DHKHKXVYLBGOIT-UHFFFAOYSA-N |
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| PubChem CID | 7765 |
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| ChEMBL | CHEMBL1338583 |
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| ChEBI | CHEBI:179533 |
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| EC No. | 203-310-6 |
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| DTXSID | DTXSID6030607 |
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化学・物理的性質
| XLogP | 0.8 |
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| 極性表面積 | 18.5 |
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| 水素結合供与体数 | 0 |
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| 水素結合受容体数 | 2 |
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| 回転可能結合数 | 4 |
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| 重原子数 | 8 |
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| 形式電荷 | 0 |
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| 複雑度 | 39.8 |
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| 物質分類 | Other Classes -> AcetalsFlammable agents - 3rd degree |
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| SpringerMaterials Properties | Boiling point |
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| 香料 | Fragrance Ingredient (Acetal) -> IFRA transparency List |
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| LogP（分配係数） | Log Kow = 0.841.49 |
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| 臭い | PUNGENT, GREEN, WOODY SOLVENT ODOR心地よい香り、ナッツのような後味 |
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| 味 | WHISKEY TASTEnutty after-taste |
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| 食品添加物 | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| 密度 | 0.831 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8254 AT 20 °C/4 °CRelative density (water = 1): 0.830.822-0.8310.8254 g/cm3 |
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| 香味料 | EU Flavoring substances |
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| Viscosity | Liquid viscosity = 2.1531X10-3 Pa.s @ 200 deg K |
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| Color/Form | COLORLESS LIQUID |
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| 溶解度 | MISCIBLE WITH ALCOHOL, 60% ALCOHOL, ETHERSOL IN HEPTANE, METHYLCYCLOHEXANE, ETHYL ACETATEPROPYL, ISOPROPYL, BUTYL & ISOBUTYL ALCOHOLS100 G WATER DISSOLVE 5 G ACETALSOL IN CHLOROFORMsol in acetoneWater Solubility = 4.4X10+4 mg/L at 25 °C44 mg/mL at 25 °CSolubility in water, g/100ml: 5.0 |
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| 融点 | -100 °C |
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| 沸点 | -23 °C(Press: 1.0 Torr) |
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| 色 | 無色の揮発性の液体 |
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安全性と法規制
| GHS 分類 | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)H225 (98.7%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
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| 規制情報 | Chemical: Ethane, 1,1-diethoxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 04-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23631Ethane, 1,1-diethoxy-: HSNO Approval: HSR001239 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
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| 輸送ラベル（DOT） | Flammable Liquid |
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| 火災危険 | Special Hazards of Combustion Products: Explosive· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Highly flammable. Vapour/air mixtures are explosive. |
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| 火災の可能性 | DANGEROUS, DUE TO FIRE AND EXPLOSION HAZARDS. DANGEROUS, WHEN EXPOSED TO HEAT OR FLAME |
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| 健康有害性 | May irritate the upper respiratory tract. High concentrations act as a central nervous system depressant. Symptoms of exposure include headache, dizziness, drowsiness, abdominal pain, and nausea. (USCG, 1999)· Inhalation or contact with material may irritate or burn skin and eyes. |
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| 有害性の概要 | Highly flammableInhalation of high concentrations can cause CNS depression[Hawley] Hydrolyzed in the stomach to acetaldehyde and ethyl alcohol[HSDB] Forms heat-sensitive explosive peroxides on contact with airAn upper respiratory tract irritant[CAMEO] A mild skin and eye irritant, based on animal studies[CHEMINFO] A skin, eye, and respiratory tract irritantExposure may result in lowering of consciousness. [ICSC] Safe when used as a flavoring agent in food[JECFA] An irritant |
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