酢酸2-エトキシエチル

酢酸2-エトキシエチル · エクタソルブEEアセタートソルベント · オキシトールアセタート · 酢酸セロソルブ · セロソルブアセタート · 酢酸(2-エトキシエチル) · 2-エトキシエチル=アセタート · エチルセロソルブアセタート

識別子と物理属性

CAS No.	111-15-9
分子式	C6H12O3
平均分子量	132.16 g/mol
単同位体質量	132.07864424 g/mol
SMILES	CCOCCOC(C)=O
InChIKey	SVONRAPFKPVNKG-UHFFFAOYSA-N
PubChem CID	8095
ChEMBL	CHEMBL1427293
EC No.	203-839-2
DTXSID	DTXSID9021928
現地名	酢酸2-エトキシエチル

化学・物理的性質

XLogP	0.3
極性表面積	35.5
水素結合供与体数	0
水素結合受容体数	3
回転可能結合数	5
重原子数	9
形式電荷	0
複雑度	80.4
物質分類	TeratogensVolatile Organic Compound (VOC)
Solvents	Solvents -> Glycol Ethers (E Series)
化粧品	Cosmetics ingredient -> Other (Specify)Cosmetic ingredients (Ethoxyethanol Acetate) -> CIR (Cosmetic Ingredient Review)
SpringerMaterials Properties	Boiling point
LogP（分配係数）	log Kow = 0.24
臭い	MILD ESTER-LIKE ODOR BECOMES OBJECTIONABLE IN HIGH CONCN ...Pleasant odor
味	... A BITTER ACID TASTE
密度	0.974 at 68 °F (USCG, 1999) - Less dense than waterwill floatSpecific gravity: 0.975 at 20 °C/20 °CRelative density (water = 1): 0.97 (20 °C)0.980.9740 @ 20°C0.975 g/mL at 25 °C(lit.)
Viscosity	1.32 cP at 20 °C
Color/Form	Colorless liquid
溶解度	greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)Coefficient of expansion = 0.00112 °C-1 at 20 °CDielectric constant = 7.567 at 30 °CWater azeotrope = 44.4 wt % at 97 °CHildebrand solubility parameter(delta) = 17.8 MPaVery soluble in ethyl alcohol, ethyl etherMISCIBLE WITH OLIVE OIL IN ALL PROPMiscible with aromatic hydrocarbonsIn water, 187,000 mg/L at 20 °CH2O: 可溶約6部230g/L(20℃)
引火点	135 °F (NTP, 1992)47 °C52 °C (Closed cup)51.1 °C c.c.124 °F
融点	-61 °C
沸点	156 °C(lit.)
蒸気密度	4.6 (vs air)
蒸気圧	2 mm Hg ( 20 °C)
屈折率	n20/D 1.406(lit.)
貯蔵条件	Store below +30°C.
外観・状態	無色の液体
色	Colorless
pH	4-5 (H2O, 20℃)(saturated solution)
爆発限界	1.7-10%(V)
臭気閾値	0.049ppm
比熱容量	Cp(liquid): 2.85 J/(g·K), at 25℃
Merck	14,3751
BRN	1748677
ヘンリー定数	9.07(x 10-7 atmm3/mol) at 25 °C (approximate - calculated from water solubility and vapor pressure) 33.0(x 10-7 atmm3/mol) at 30.00 °C (headspace-GC, Hovorka et al., 2002)
誘電率	7.6(30℃)
安定性	安定。可燃性。強酸化剤、強酸、強塩基、硝酸塩とは相容れない。
化粧品成分の機能	溶媒
InChI	1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3
InChIKey	SVONRAPFKPVNKG-UHFFFAOYSA-N
SMILES	CCOCCOC(C)=O
LogP（分配係数）	0.449 (est)
CAS データベース	111-15-9(CAS DataBase Reference)
NISTの化学物質情報	2-Ethoxyethyl acetate(111-15-9)
EPAの化学物質情報	Ethylene glycol monoethyl ether acetate (111-15-9)

化学的特性

colourless liquid

安全性と法規制

GHS 分類	DangerH226: Flammable liquid and vapor [Warning Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P318, P321, P330, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 8.8% (36 of 410) of reports.H226 (90.5%): Flammable liquid and vapor [Warning Flammable liquids]
規制情報	Chemical: Ethanol, 2-ethoxy-, acetateHazard Traits - Developmental ToxicityNeurotoxicityReproductive ToxicityEthanol, 2-ethoxy-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-ethoxy-, 1-acetate 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)S - indicates a substance that is identified in a final Significant New Use Rule.Substance: 2-ethoxyethyl acetateEthanol, 2-ethoxy-, acetate: HSNO Approval: HSR001157 Approved with controls
その他の安全情報	IMAP assessments - Ethanol, 2-ethoxy-, acetate: Environment tier I assessment
輸送ラベル（DOT）	Flammable Liquid
火災危険	Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Flammable. Above 51.1 °C explosive vapour/air mixtures may be formed.
火災の可能性	MODERATE, WHEN EXPOSED TO HEAT OR FLAMECAN REACT WITH OXIDIZING MATERIALS. SPONTANEOUS HEATING: NO.
健康有害性	Vapors irritate nose and eyes in high concentrations. Liquid irritates skin in prolonged or repeated contact. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin.
有害性の概要	Laboratory animals die after twelve 8-hour exposures of 450 ppmpathological examination shows kidney damage[ACGIH] For ethylene glycol ethers, there is limited positive evidence of spontaneous abortions and decreased sperm counts in humans and strong positive evidence of birth defects and testicular damage in animals. [ATSDR Case Studies # 29] See Glycol ethers.

用途

有機合成原料。

用途

塗料、インキの溶剤

用途

触媒、自動車の塗料、ペイントや印刷インキの溶媒など

使用

Solvent for nitrocellulose, oils, and resins; retards “blushing” in lacquers, varnish removers, wood stains, textiles, and leather.

一般的な説明

A clear colorless liquid with a pleasant odor. Flash point of 120°F. Less dense than water. Vapors are heavier than air.

製法・合成法

純化方法

Shake the ethoxy-ethane with anhydrous Na2CO3, filter and distil it in a vacuum. Redistillation can then be carried out at atmospheric pressure. [Dunbar & Bolstad J Org Chem 21 1041 1956, Beilstein 2 IV 214.]