TERT-부탄올-1,1,1-D3

TERT-부탄올-1,1,1-D3 · tert-Butanol-1,1,1-d3 · tert-Butyl--d3 Alcohol · TERT-BUTYL-1,1,1-D3 ALCOHOL

https://huagongshe.com/ko/chemical/178953439

식별자 및 물리적 특성

CAS No.	33500-15-1
분자식	C4H10O
평균 분자량	74.12 g/mol
SMILES	CC(C)(C)O
InChIKey	DKGAVHZHDRPRBM-UHFFFAOYSA-N
ChEMBL	CHEMBL16502
ChEBI	CHEBI:45895
EC No.	200-889-7
현지명	TERT-부탄올-1,1,1-D3

화학 및 물리적 성질

XLogP	0.5
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	5
형식 전하	0
복잡도	25.1
물질 분류	Flammable agents - 3rd degreeVolatile Organic Compound (VOC)
의약품	Pharmaceuticals -> Listed in ZINC15
Solvents	Solvents -> Alcohols (<C12)
화장품	Cosmetics ingredient -> FragranceOther (Specify)Preservative/StabilizerSolventCosmetic ingredients (t-Butyl Alcohol) -> CIR (Cosmetic Ingredient Review)Denaturant
SpringerMaterials Properties	Schoenflies notation
향료	Fragrance Ingredient (2-Methyl-2-propanol) -> IFRA transparency List
농약	Pesticide -> EPA IRIS
LogP(분배 계수)	log Kow = 0.350.34
냄새	Camphor-like odor
밀도	0.78 at 78.8 °F (USCG, 1999) - Less dense than waterwill float0.7886 g/cu cm at 20 °CRelative density (water = 1): 0.80.781 @25 °C0.79 (Solid)
향미제	EU Flavoring substances
Color/Form	A colorless liquid, which forms rhombic crystals melting at 25 to 25.5 °CColorless liquid or rhombic prisms or platesColorless liquid or solid (above 77 °F) [Note: Often used in aqueous solutions].

안전 및 규제

GHS 분류	DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 3040) of reports.H225 (> 99.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]
규제 정보	Chemical: 2-Propanol, 2-methyl-Hazard Traits - CarcinogenicityCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Propanol, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 2-methyl- 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)Status: Active Update: 09-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/141122-Propanol, 2-methyl-: HSNO Approval: HSR001099 Approved with controls
기타 안전 정보	IMAP assessments - 2-Propanol, 2-methyl-: Human health tier II assessment
운송 라벨(DOT)	Flammable Liquid
화재 위험	This chemical is flammable. (NTP, 1992)Highly flammable. Vapour/air mixtures are explosive. Heating will cause rise in pressure with risk of bursting.
화재 가능성	Highly flammable liquid and vapor.
건강 유해성	Vapor is narcotic in action and irritating to respiratory passages. Liquid is irritating to skin and eyes. (USCG, 1999)
유해성 요약	Animals in feeding studies develop alcohol intoxication[ACGIH] A skin, eye, and respiratory tract irritantInhalation of high concentrations can cause CNS depression[ICSC]
운송 번호 및 가이드(DOT)	1120 129
FDA 요건	Defoaming agents used in coatings. The defoaming agents described in this section may be safely used as components of articles intended for use in producing, manufacturing, packing, processing, preparing, treating, packaging, transporting, or holding food, subject to the provisions of this section. tert-Butyl alcohol is included on this list.

용도

tert-Butyl-1,1,1-d3 Alcohol (CAS# 33500-15-1) is a useful isotopically labeled research compound.