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2,5-디-t-아밀하이드로퀴논

2,5-Di-t-pentylhydroquinone

HCID 6610
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
79-74-3
표준 SMILES
CCC(C)(C)c1cc(O)c(C(C)(C)CC)cc1O
InChIKey
CZNRFEXEPBITDS-UHFFFAOYSA-N
분자식
C16H26O2
평균 분자량
250.38 g/mol
단동위원소 질량
250.19328007

이름 및 식별자

우선 이름
2,5-Di-t-pentylhydroquinone
IUPAC
2,5-bis(2-methylbutan-2-yl)benzene-1,4-diol
현지명
2,5-디-t-아밀하이드로퀴논
영어명
2,5-Di(tert-amyl)hydroquinone
분자식
C16H26O2
분자량
250.38

이름 및 동의어

79-74-32,5-Di-tert-amylhydroquinone2,5-Di-tert-pentylbenzene-1,4-diol2,5-Di-tert-pentylhydroquinoneSantovar ADiamylhydroquinoneAntage DAHUSAF B-211,4-Benzenediol, 2,5-bis(1,1-dimethylpropyl)-2,5-DI(TERT-AMYL)HYDROQUINONE2,5-Di-t-amylhydroquinone2,5-Bis(1,1-dimethylpropyl)hydroquinone
이름 더 보기
2,5-디-t-아밀하이드로퀴논다이아밀하이드로퀴논2,5-디(tert-아밀)히드로퀴논DAHkyhjdahqSantovarusafb-21santouarasantovaraantagedahSantouar A
Hydroquinone, 2,5-di-tert-pentyl-Hydroquinone, 2,5-di-t-pentyl-NSC 455Hydroquinone, 2,5-di-tert-amyl-2,5-DI-T-PENTYLHYDROQUINONE2,5-Di-tert-amylbenzene-1,4-diol2,5-Bis(1,1-dimethylpropyl)-1,4-benzenediolHSDB 5231

데이터베이스 식별자

CAS
79-74-3
PubChem CID
6610
DTXSID
DTXSID5044992
ChEMBL
CHEMBL594135
UNII
19O4J76TTK
EC Number
201-222-2
Nikkaji
J10.508B

물성

구조 계산 물성

XLogP
5.6
극성 표면적
40.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
4
무거운 원자 수
18
형식 전하
0
복잡도
242

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Phenols
CosmeticsAntioxidant
Density1.05 @ 25 °C
Color/Form · 2건

CRYSTALS

BUFF POWDER

SolubilitySLIGHTLY SOL IN WATER; SOL IN ALCOHOL & BENZENE
Melting Point179.4-180.4 °C
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description · 2건

Dry Powder

Beige solid; [HSDB]

물리화학적 성질

녹는점
179 °C · 179 °C
끓는 점
353.51 °C · 353.51°C (rough estimate)
밀도
0.9781 · 0.9781 (rough estimate)
증기압
0 Pa · 0Pa at 20℃
굴절률

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 81 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

유해성 정보

Regulatory Information · 4건

Chemical: 1,4-Benzenediol, 2,5-bis(1,1-dimethylpropyl)-

1,4-Benzenediol, 2,5-bis(1,1-dimethylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenediol, 2,5-bis(1,1-dimethylpropyl)- 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)

REACH registered substance: 2,5-di-tert-pentylhydroquinone (EC: 201-222-2)

1,4-Benzenediol, 2,5-bis(1,1-dimethylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

Reproductive effector; Causes liver injury (abnormal liver function tests) and weight loss in feeding studies; [RTECS] Emergency treatment: see Hydroquinone and Quinone. [HSDB] An irritant; May cause skin burns and damage to lungs; [MSDSonline]

Hazard Classes and Categories · 3건

Acute Tox. 4 (100%)

Specific target organ toxicity - Single exposure - Category 2 (systemic toxicity)

Skin sensitization - Category 1A

안전 및 보호

Disposal Methods

화학 및 산업

약리 정보

Absorption, Distribution and ExcretionCMPD WAS FOUND IN TISSUES INCL NEUROLOGICAL TUMORS, ADULT & FETAL BRAIN. NO CONTAMINATION SOURCE WAS FOUND IN HOSPITAL; POSSIBLE SOURCE: ANTIOXIDANT PREPN IN RUBBER MFR.

용도 및 제조

Uses · 3건

Used as an antioxidant for uncured rubber and unsaturated resins and oils; in food packaging; as a polymerization inhibitor; and as a staining protector in rubber; [HSDB]

ANTIOXIDANT FOR UNCURED RUBBER & FOR UNSATURATED RESINS & OILS; FOOD PACKAGING; POLYMERIZATION INHIBITOR

AS STAINING PROTECTOR IN RUBBER

U.S. Production2023: <50,000 lb
Industry UsesAntioxidant
Methods of Manufacturing · 2건

ERICKSON, BRITISH PATENT 596,461 (1948 TO MATHIESON ALKALI WORKS).

Hydroquinone + isoamylene (Friedel-Crafts alkylation)

Use ClassificationCosmetics -> Antioxidant
General Manufacturing Information · 2건

Plastics Material and Resin Manufacturing

1,4-Benzenediol, 2,5-bis(1,1-dimethylpropyl)-: ACTIVE

상·하류 제품 정보

상류 원료

2,5-Di-tert-amylbenzoquinone황산아밀렌하이드로퀴논

하류 제품

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
1.6 · 1.6000 (estimate)
산도 계수 (pKa)
11.21 · 11.21±0.23(Predicted)
물리적 상태
powder to crystal
색상
흰색에서 노란색, 주황색으로
수용성
200 ng/L · 200ng/L at 20℃
Merck
14 · 14,3304
화장품 원료 기능
항산화제
LogP
5.1 at · 5.1 at 25℃
NIST
1 · 1,4-Benzenediol, 2,5-bis(1,1-dimethylpropyl)-(79-74-3)
EPA
1 · 1,4-Benzenediol, 2,5-bis(1,1-dimethylpropyl)- (79-74-3)
· 1건

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

독성 정보

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
TSCA Test Submissions · 5건

2,5-di-t-pentylhydroquino (CAS # 79-74-3) was evaluated for dermal sensitization. The Shelanski and Shelanski Repeated Insult Patch Test was used, the test substance was administered to more than 50 adults. The induction phase included 10 occluded applications of 0.2 ml of a 50% dispersion of test substance to the intact skin on the left side of the back. No adverse responses occurred in 21 subjects. In another 21 subjects, responses not greater than a Grade 1 occurred. In 5 subjects, responses not greater than a Grade 2 occurred. Indurated erythematous (Grade 4) occurred once in 6 subjects and twice in 1 subject. Five weeks after the induction phase, the challenge phase included application of the test substance to naive sites at the same concentration as the induction phase. No adverse responses occurred in 37 subjects. In 9 subjects, responses not greater than a Grade 1 occurred. In 4 subjects, responses not greater than a Grade 2 occurred. In 3 subjects, a Grade 4 was obtained after the second application of the challenge phase. The test substance was determined to have a weak to moderate skin-irritating propensity.

2,5-di-t-pentylhydroquino (CAS # 79-74-3) was evaluated for teratogenic toxicity. The test substance was administered orally in a corn oil vehicle to pregnant Sprague-Dawley rats (25/group) at dosage levels of 0, 20, 70, or 175 mg/kg/day on gestation days 6-15. All doses were administered at a constant volume of 5 mg/kg. Clinical signs at 70 mg/kg/day were slight maternal toxicity and substantial maternal toxicity at 175 mg/kg/day. Signs of toxicity included post-dosing salivation, increased incidence of reddish colored vaginal discharge at the 70 mg/kg/day level, and more frequent and severe toxicity, body weight loss and reduced food consumption at the 175 mg/kg/day level. Fetal toxicity at 175 mg/kg/day, included statistically significant body weight loss and litters with ossification variations, such as an increased incidence of skull anomalies, 7th cervical ribs, and #5 and/or #6 sternebrae were unossified. The no observable effect level (NOEL) for maternal toxicity was 20 mg/kg/day, and the NOEL for developmental toxicity was 70 mg/kg/day.

2,5-di-t-pentylhydroquino (CAS # 79-74-3) was evaluated for the potential to induce structural chromosomal aberrations in the hemopoietic cells of the rat bone marrow when administered by oral gavage. The test substance was administered in single oral doses to three groups of fasted young albino Sprague-Dawley rats (number and sex of rats was not reported) at a dosage of 1000 mg/kg of body weight. Treated rats were evaluated at intervals of 6, 18, and 30 hours. Approximately 2 hours before each sacrifice time, rats were administered colchicine at 4 mg/kg of body weight to arrest cells in metaphase. Both femurs were removed from sacrificed animals and metaphase slides were prepared for scoring of chromosome aberrations. All rats exhibited mild to severe toxic signs, including diarrhea, abnormal gait, and stance. In the 18 hour group, toxic signs included decreased body tone and inactivity. In the 30 hour group, toxic signs included yellow to brown wet pellage in the anal-genital region and decreased body tone. From the 18 hour harvest group 2 females died. From each animal, 50 metaphase cells were analyzed. There were no statistically significant increase in the incidence of aberrations or number of aberrant metaphases observed at any of the three sampling times, therefore, the test substance was classified as not clastogenic.

2,5-di-t-pentylhydroquino (CAS # 79-74-3) was evaluated for mutagenicity in the rat liver homogenate metabolic activation system (S9). The test substance was tested in an insoluble concentration in aqueous media (greater than 100 ug/ml). Increases in cytotoxicity were observed as the S9 levels increased from 2% to 10%. Maximum concentrations tested in mutagenicity assays were 150 ug/ml in the absence of S9 and 100 ug/ml in the presence of 1%, 2%, 5%, and 10% S9. The test substance was determined not to be a mutagen.

For more TSCA Test Submissions (Complete) data for 2,5-DI-T-PENTYLHYDROQUINONE (6 total), please visit the HSDB record page.

Human Toxicity ExcerptsChronic neurotoxic effects include vision disturbances. /From table; Quinones/
Non-Human Toxicity Excerpts · 4건

2,5-DITERTIARY AMYL HYDROQUINONE WAS NON-HEMOLYTIC IN NORMAL RAT ERYTHROCYTES.

AFTER POS MATING OF WALTER REED-CARWORTH FARMS RATS IN THEIR 1ST GESTATION, FEMALES WERE RANDOMLY DISTRIBUTED INTO EXPTL & CONTROL GROUPS, FORMER GIVEN 2,5-DI-TERT-AMYLHYDROQUINONE BY MOUTH OR INTO DIET & KILLED 21 DAYS AFTER MATING. DATA SUGGEST BENEFICIAL EFFECT ON RESORPTION RATE.

Acute neurotoxic effects reported in animals include convulsions; medullary paralysis. /From table; Quinones/

The effects of diethyl maleate on the cytotoxicity of phenyl-hydroquinone and other hydroquinones were studied in freshly isolated rat hepatocytes. Addition of phenyl hydroquinone (O.5 or 0.75 mM) to hepatocytes resulted in dose-dependent cell death accompanied by the abrupt depletion of both glutathione and protein thiols and the accumulation of phenyl-benzoquinone. Pretreatment with diethyl maleate (1.25 mM) which causes an abrupt depletion of cellular glutathione in hepatocytes delayed the onset of phenyl hydroquinone-induced cytotoxicity. The delay correlated with inhibition of phenyl benzoquinone formation. Among other hydroquinones (0.5 mM), tert-butyl-hydroquinone-induced cytotoxicity was decreased by diethyl maleate (1.25 mM), but diethyl maleate did not affect the cytotoxicity of 2,5-di(tert-butyl)-1,4-benzohydroquinone. Phenyl-hydroquinone -induced cytotoxicity correlated with the accumulation of phenyl-benzoquinone in the cell.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
MX6300000
HS 번호
2914.69.9000
기존화학 물질
KE-03098
유해 물질 데이터
79-74-3(Hazardous Substances Data)
2-에톡시페놀3,5-Di-tert-butylcatechol

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