나프틸아세트산

나프틸아세트산 · Aids017630 · Aids-017630

식별자 및 물리적 특성

CAS No.	26445-01-2
분자식	C12H10O2
평균 분자량	186.21 g/mol
단동위원소 질량	186.06807956 g/mol
SMILES	O=C(O)Cc1cccc2ccccc12
InChIKey	PRPINYUDVPFIRX-UHFFFAOYSA-N
PubChem CID	6862
ChEMBL	CHEMBL428495
ChEBI	CHEBI:32918
EC No.	201-705-8
DTXSID	DTXSID8020915
현지명	나프틸아세트산

화학 및 물리적 성질

XLogP	2.7
극성 표면적	37.3
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	14
형식 전하	0
복잡도	212
의약품	Pharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
농약	AttractantsActive substance -> EU Pesticides database: ApprovedPesticides -> Plant Growth RegulatorsEnvironmental transformation -> Pesticides (parent, predecessor)
LogP(분배 계수)	log Kow = 2.24
냄새	Odorless
Color/Form	Needles from waterWhite crystalsColorless crystals
용해도	Slightly soluble in ethanol, trifluoroacetic acidsoluble in benzene and acetic acidvery soluble in ethyl ether, acetone, and chloroform.10.6 mg/l in carbon tetrachloride @ 26 °C55 mg/l in xylene at 26 °CAbout 30 parts in alcoholVery sol in isopropanolIn water, 420 mg/l @ 20 °C
Endocrine Disruptors	Potential endocrine disrupting compound
끓는 점	Decomposes
Decomposition	When heated to decomposition it emits acrid smoke and irritating fumes.
녹는점	134.5-135.5 °CMelting point of 125-128 °C /Technical grade/134.5 - 135.5 °C
증기압	0.0000159 [mmHg]

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 0.9% (1 of 112) of reports.DangerH302 (97.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 112 reports by companies from 25 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: 1-Naphthaleneacetic acidCommission Regulation (EC) No 33/2008Napthalene Acetates is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2008/941/EC, Reg. (EU) 2023/2592, Reg. (EU) No 2019/291, Reg. (EU) No 540/2011, Reg. (EU) No 787/20111-Naphthylacetic acid: Does not have an individual approval but may be used under an appropriate group standard
화재 가능성	NONFLAMMABLE
유해성 요약	A skin and mucous membrane irritantA severe eye irritantHigh-dose animal studies: reduce food intake, decreased hemoglobin, increased liver enzymes[HSDB] The naphthalene acetates are metabolized in the body and excreted as glycine and glucoronic acid conjugates within 48 hours of exposureThe most common effect seen in high-dose animal studies is a reduction in body weight1-naphthaleneacetic acid derivatives covered in the RED are the acetamide (CAS # 86-86-2), potassium salt (CAS # 15165-79-4), ammonium salt (CAS # 25545-89-5), sodium salt (CAS # 61-31-4), and ethyl ester (CAS # 2122-70-5)[Reference #1]The major hazards encountered in the use and handling of 1-naphthaleneacetic acid stem from its toxicologic properties. Toxic primarily via inhalation and dermal contact. Exposure to this odorless, white, crystalline substance (or colorless solution) may occur from its production or application as a herbicide and plant growth regulator. Effects from exposure include nasal, skin, and eye irritation. Wear gloves when handling this substance. This nonflammable, noncorrosive material should be stored in a cool, dry, dark area (to prevent the possibility of ultraviolet degradation). Before implementing land disposal of waste 1-naphthaleneacetic acid, consult with environmental regulatory agencies for guidance.