rac-(R*)-2-ヒドロキシプロパンニトリル

rac-(R*)-2-ヒドロキシプロパンニトリル · DL-LACTONITRILE · ETHYLIDENE CYANOHYDRIN · 2-HYDROXYPROPIONITRILE · 2-HYDROXYETHYL CYANIDE · ACETALDEHYDCYANOHYDRIN · ACETALDEHYDE CYANOHYDRIN · DL-lactonitrilestab.pure

https://huagongshe.com/ja/chemical/6572

識別子と物理属性

CAS No.	42492-95-5
分子式	C3H5NO
平均分子量	71.08 g/mol
単同位体質量	71.03711378 g/mol
SMILES	CC(O)C#N
InChIKey	WOFDVDFSGLBFAC-UHFFFAOYSA-N
PubChem CID	6572
ChEMBL	CHEMBL3559764
EC No.	201-163-2
DTXSID	DTXSID6025432
現地名	rac-(R*)-2-ヒドロキシプロパンニトリル

化学・物理的性質

XLogP	-0.3
極性表面積	44
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	0
重原子数	5
形式電荷	0
複雑度	60.5
物質分類	Nitrogen Compounds -> NitrilesFlammable agents - 2nd degree
SpringerMaterials Properties	Coriolis coupling
LogP（分配係数）	log Kow= -0.94
密度	0.9877 at 68 °F (EPA, 1998) - Less dense than waterwill float0.9877 @ 20 °C/4 °C0.9834 @25 °C0.991 g/mL at 20 °C(lit.)
Color/Form	YELLOW LIQUIDStraw-colored liq
溶解度	greater than or equal to 100 mg/mL at 73 °F (NTP, 1992)Soluble in water and alcoholinsoluble in petroleum ether and carbon disulfide.Miscible in water and ethanolsoluble in ethyl ether and chloroform.
引火点	170 °F (EPA, 1998)76.6 °C171 °F (77 °C) (closed cup)
沸点	360 to 363 °F at 760 mmHg Slight decomposition (EPA, 1998)221 °C221 °C @760 [mm Hg]90 °C17 mm Hg(lit.)
Decomposition	... WHEN HEATED TO DECOMP, IT RELEASES HIGHLY TOXIC CYANIDE FUMES.
融点	-40 °F (EPA, 1998)-40 °C
蒸気密度	2.45 (EPA, 1998) - Heavier than airwill sink (Relative to Air)2.45 (Air= 1)
蒸気圧	10 mmHg at 165.2 °F (EPA, 1998)0.11 [mmHg]1.19X10-1 mm Hg @ 25 °C0.119 [mm Hg] @25 °C
屈折率	n20/D 1.404

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 27% (55 of 204) of reports.DangerH300 (52.9%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P317, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 204 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報	Chemical: Propanenitrile, 2-hydroxy-Status: Active Update: 27-01-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/10462The 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.)
輸送ラベル（DOT）	Poison
火災危険	Cyanide fumes released when heated to decomposition. Avoid alkali, oxidizing material. (EPA, 1998)
火災の可能性	IT HAS MODERATE FIRE HAZARD WHEN EXPOSED TO HEAT OR FLAME ...
健康有害性	Extremely toxic by oral, skin, or eye contact. (EPA, 1998)
有害性の概要	An eye irritantHighly toxic by eye contact, ingestion, and skin absorptionEmergency treatment: LactonitrileMay cause cyanide poisoning after a delay of several hoursAn oral dose of >10 mg/kg is lethal in animals, as is 0.05 ml applied to the eye and 1 mg/kg applied to the skin[HSDB] Cyanide fumes released when heated to decomposition. Avoid alkali, oxidizing material. . . . Extremely toxic by oral, skin, or eye contact. [CAMEO] May cause irritationReadily absorbed through skin (may be fatal)[Aldrich MSDS] See NITRILES.The major hazards encountered in the use and handling of 2-hydroxypropanenitrile stem from its toxicologic properties. Extremely toxic by inhalation, and dermal or eye contact, exposure to this colorless-to-yellow liquid may occur from its use as a solvent and intermediate in the production of ethyl acetate and lactic acid. Effects from exposure may include initially headache, dizziness, and agitation, followed by combative behavior, coma, and death. This substance is a moderate fire hazard when exposed to heat or flame.