フェニルウレタン

フェニルウレタン · カルバニル酸エチル · フェニルカルバミン酸エチル · N-フェニルカルバミド酸エチル · N-フェニルウレタン · オイフォリン · オイホリン · エチル N-フェニルカルバマート

識別子と物理属性

CAS No.	101-99-5
分子式	C9H11NO2
平均分子量	165.19 g/mol
単同位体質量	165.07897859 g/mol
SMILES	CCOC(=O)Nc1ccccc1
InChIKey	LBKPGNUOUPTQKA-UHFFFAOYSA-N
PubChem CID	7591
ChEMBL	CHEMBL2087000
EC No.	202-995-9
DTXSID	DTXSID0059243
現地名	フェニルウレタン

化学・物理的性質

XLogP	2.3
極性表面積	38.3
水素結合供与体数	1
水素結合受容体数	2
回転可能結合数	3
重原子数	12
形式電荷	0
複雑度	141
SpringerMaterials Properties	Boiling point
農薬	Pesticides -> Plant Growth Regulators
LogP（分配係数）	log Kow = 2.302.26
臭い	Aromatic odor
味	Clove-like taste
密度	1.1064 at 20 °C/4 °C1,106 g/cm3
Color/Form	White acicular crystalsWhite needles from waterplates from dilute alcohol
溶解度	Slightly soluble in waterfreely sol in alcohol, etherInsoluble in cold watersoluble in alcohol, ether, and boiling water.Soluble in benzeneIn water, 845 mg/L at 25 °C /Estimated/Practically insoluble in water
沸点	238 °C237 °C
Decomposition	When heated to decomposition it emit toxic fumes of /nitrogen oxide/.
融点	52-53 °C47-51 °C
蒸気圧	0.02 [mmHg]0.027 mm Hg at 25 °C /Estimated/
屈折率	1.5375
引火点	237°C
貯蔵条件	Sealed in dry,Room Temperature
外観・状態	powder to crystal
pKa（酸解離定数）	13.86±0.70(Predicted)
色	White to Orange to Green
由来生物	fish skin
Merck	14,7320
BRN	1942785
ヘンリー定数	3.4×102 mol/(m3Pa) at 25℃, HSDB (2015)
誘電率	2.7(Ambient)
CAS データベース	101-99-5(CAS DataBase Reference)
EPAの化学物質情報	Carbamic acid, phenyl-, ethyl ester (101-99-5)

化学的特性

colorless to almost white needles

安全性と法規制

GHS 分類	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
有害性の概要	Emergency treatment is for other herbicides and includes skin decontamination and supportive measures[HSDB] May cause irritation[MSDSonline]
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Skin, Eye, and Respiratory Irritations	Carbamates produce slight to moderate skin and eye irritation, depending on the vehicle used, duration of contact, and on whether the substance is applied to the abraided or intact skin. From the available data, it cannot be excluded that some of the carbamates will have a slight to moderate sensitization potential. /Carbamate Pesticides/
処分方法	SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.
環境中動態	TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 420(SRC), determined from a log Kow of 2.30 and a regression-derived equation(3), indicates that ethyl N-phenylcarbamate is expected to have moderate mobility in soil(SRC). Volatilization of ethyl N-phenylcarbamate from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.9X10-8 atm-cu m/mole(SRC), using a fragment constant estimation method(4). Ethyl N-phenylcarbamate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.027 mm Hg(SRC), determined from a fragment constant method(5). No biodegradation data were available(SRC, 2005).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 420(SRC), determined from a log Kow of 2.30(2) and a regression-derived equation(3), indicates that ethyl N-phenylcarbamate is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 2.9X10-8 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 12(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Hydrolysis is not expected to be an important fate process since carbamates tend to hydrolyze slowly under environmental conditions. A base-catalyzed second-order hydrolysis rate constant of 2.6X10-4 L/mole-sec(SRC) was estimated using a structure estimation method

用途

有機合成原料。