2-t-부틸하이드로퀴논

2-t-부틸하이드로퀴논 · 삼차부틸히드로퀴논 · 삼차뷰틸히드로퀴논 · T-뷰틸하이드로퀴논 · 티비에이치큐 · TBHQ · TERTIARY BUTYL HYDROQUINONE · T-BUTYLHYDROQUINONE

https://huagongshe.com/ko/chemical/16043

식별자 및 물리적 특성

CAS No.	1948-33-0
분자식	C10H14O2
평균 분자량	166.22 g/mol
단동위원소 질량	166.09937969 g/mol
SMILES	CC(C)(C)c1cc(O)ccc1O
InChIKey	BGNXCDMCOKJUMV-UHFFFAOYSA-N
PubChem CID	16043
ChEMBL	CHEMBL242080
ChEBI	CHEBI:78886
EC No.	217-752-2
DTXSID	DTXSID6020220
현지명	2-t-부틸하이드로퀴논

화학 및 물리적 성질

XLogP	2.8
극성 표면적	40.5
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	12
형식 전하	0
복잡도	148
물질 분류	Other Classes -> Phenols
의약품	Pharmaceuticals -> Listed in ZINC15
화장품	Cosmetic ingredients (TBHQ) -> CIR (Cosmetic Ingredient Review)Cosmetic ingredients (t-Butyl Hydroquinone) -> CIR (Cosmetic Ingredient Review)Antioxidant
pH	pH = 4.56 at 25 °C of a 1% solution of 2-tert-butylhydroquinone
향료	Fragrance Ingredient (2-tert-Butylhydroquinone) -> IFRA transparency List
냄새	Very slight aromatic odorCharacteristic odorVery slight odor
식품 첨가물	ANTIOXIDANT -> FDA Substance added to food
밀도	1.05 (NTP, 1992) - Denser than waterwill sink295
Color/Form	White to light tan crystalline powder or a fine beige powderWhite crystalline solid
용해도	less than 1 mg/mL at 66 °F (NTP, 1992)Practically insoluble in watersoluble in ethanolSolubility: 5% in water at 95 °C, 5% in lard at 50 °CIn water, 2000 mg/L at 30 °C (Shake-flask method)Solubility in fats and food-grade solvents is good(at 25 °C): less than 1% in water, 60% in ethanol, 60% in ethyl acetate, 10% in glyceryl monooleate, 10% in cottonseed oil, 10% in corn oil, 10% in soybean oil, 30% in propylene glycol, 5% in safflower oilDMSO(약간 용해됨), 메탄올(약간 용해됨)
인화점	340 °F (NTP, 1992)171 °C (340 °F) - closed cup
Animal Drugs	Pharmaceuticals -> UK Veterinary Medicines Directorate List
녹는점	127-129 °C(lit.)
끓는 점	295 °C
증기압	0.004Pa at 25℃
굴절률	1.4859 (estimate)
저장 조건	Store below +30°C.
pKa(산도 계수)	10.80±0.18(Predicted)
물리적 상태	결정성 분말
색상	흰색에서 밝은 황갈색, 검은색 스펙이 포함될 수 있음
용해도	물(10g/L)에 약간 용해됩니다.
BRN	637923
안정성	안정적인. 강염기, 강산화제와 호환되지 않습니다.
화장품 원료 기능	향기향수항산화제
InChI	1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
InChIKey	BGNXCDMCOKJUMV-UHFFFAOYSA-N
SMILES	CC(C)(C)c1cc(O)ccc1O
LogP(분배 계수)	1.521 at 25℃
NIST	1,4-Benzenediol, 2-(1,1-dimethylethyl)-(1948-33-0)
EPA	tert-Butylhydroquinone (1948-33-0)

화학적 성질

White, crystalline solid having a characteristic odour. tert-Butylhydroquinone (TBHQ) is an antioxidant used to preserve oils, fats and food items. It is found in vegetable oils and animal fats, varnishes, lacquers, resins, oils field additives, and perfumes.In low concentrations it shows cytoprotective qualities while at higher concentrations it exhibits cytotoxic behavior. TBHQ was used to study the inactivation of barotolerant strains of Listeria monocytogenes and Escherichia coli.Environment friendly electrode materials for supercapacitors were attained by decorating the surface of graphene nanosheets with TBHQ.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 3% (83 of 2730) of reports.WarningH302+H312 (19.5%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2730 reports by companies from 46 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: 1,4-Benzenediol, 2-(1,1-dimethylethyl)-Regulation (EC) No 1333/2008 (amended)1,4-Benzenediol, 2-(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenediol, 2-(1,1-dimethylethyl)- 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: 25-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5612t-Butylhydroquinone: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	Evaluation - Butylated hydroxyanisole and related antioxidants
화재 위험	This chemical is combustible. (NTP, 1992)
건강 유해성	SYMPTOMS: Symptoms of exposure to this compound include irritation of the skin and eyes and dermatitis. Delayed symptoms may include lung poisoning. If aspirated into the lungs, chemical pneumonia may occur.
유해성 요약	Causes ataxia in inhalation studies and changes in liver weight in feeding studies of laboratory animals[RTECS] Not likely to be embryotoxic in humans based on studies of rats exposed to 0.5% in the diet[REPROTOX] A skin and eye irritant[CAMEO] Skin sensitization has been reported in cosmetics and cutting oils[Kanerva, p. 1763] An irritant[MSDSonline] See Hydroquinone.
FDA 요건	The food additive TBHQ, which is the chemical 2-(1,1-dimethylethyl)-1,4-benzenediol ... also known as tertiary butylhydroquinone, may be safely used in food in accordance with the following prescribed conditions: (a) The food additive has a melting point of not less than 126.5 °C. (b) The percentage of TBHQ in the food additive is not less than 99.0 percent ... (c) It is used as an antioxidant alone or in combination with BHA and/or BHT. (d) The total antioxidant content of a food containing the additive will not exceed 0.02 percent of the oil or fat content of the food, including the essential (volatile) oil content of the food.

용도

tert-Butylhydroquinone (TBHQ) is an antioxidant that exhibits an excellent stabilizing effect in unsaturated fats and oils. It has good solubility in fats and oils, with a maximum usage level of 0.02% based on the weight of the fat or oil or the fat content of the food product. It shows no discoloration in the presence of iron and produces no discernible flavor or odor. It can be combined with BHA and BHT. It is used in edible fats and vegetable oils to retard rancidity. It is used in potato chips and dry cereal. It is also termed butylhydroquinone and mono-tertiary-butylhydroquinone.

일반 설명

White to light tan crystalline powder or a fine beige powder. Very slight aromatic odor.