Butylated hydroxymethylphenol (HCID 6929)

이름 및 식별자

우선 이름: Butylated hydroxymethylphenol
IUPAC: 2,6-ditert-butyl-4-(hydroxymethyl)phenol
현지명: 3,5-디-tert-부틸-4-하이드록시벤질알코올
영어명: 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol
분자식: C15H24O2
분자량: 236.35

이름 및 동의어

2,6-Di-tert-butyl-4-(hydroxymethyl)phenol2,6-Di-tert-butyl-4-hydroxymethylphenolDTXSID702021146ND6GQI484-hydroxymethyl-2,6-di-tert-butylphenolBENZYL ALCOHOL, 3,5-DI-tert-BUTYL-4-HYDROXY-NSC-159133DTXCID70211BHTBzOH4-HMDBPRefChem:83102201-815-6

이름 더 보기

3,5-디-tert-부틸-4-하이드록시벤질알코올Butylated hydroxymethylphenolao754AO 754ionox100Ethanox-754antioxidant754ionox100antioxidant

88-26-63,5-Di-tert-butyl-4-hydroxybenzyl alcoholBHT alcoholAntioxidant 754Ionox 100Ionox 100 antioxidantBenzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-2,6-ditert-butyl-4-(hydroxymethyl)phenol

데이터베이스 식별자

CAS: 88-26-6
PubChem CID: 6929
DTXSID: DTXSID7020211
ChEMBL: CHEMBL225220
ChEBI: CHEBI:173703
UNII: 46ND6GQI48
EC Number: 201-815-6
Nikkaji: J12.804J

물성

구조 계산 물성

XLogP: 4
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 223

실험 및 물리화학적 성질

Melting Point141 °C

Physical DescriptionSolid

Kovats Retention Index1781.4

물리화학적 성질

녹는점: 139 · 139-141 °C(lit.)
끓는 점: 214 °C · 214°C 40mm
밀도: 0.9845 · 0.9845 (rough estimate)
증기압: 0 Pa · 0Pa at 20℃
굴절률: 1.5542 · 1.5542 (estimate)
인화점: 214 °C/40mm · 214°C/40mm
저장 조건: 2 · 2-8°C
수용성: 물에 불용성
산도 계수 (pKa): 12.01 · 12.01±0.40(Predicted)
물리적 상태: Solid:particulate/powder
색상: 흰색에서 노란색, 주황색으로
BRN: 2052291 · 2052291
InChI: 1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3
InChIKey: HNURKXXMYARGAY-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cc(CO)cc(c1O)C(C)(C)C
LogP: 3.16 at · 3.16 at 20℃
NIST: 3 · 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol(88-26-6)
EPA: 3 · 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenemethanol (88-26-6)

화학적 성질

White, crystalline powder.No odor. Partially soluble in methanol, ethanol, and acetone; insoluble in water. Combustible.

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (95.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 3건

Chemical: Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

Status: Active Update: 28-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20761

Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (95.6%)；Eye Irrit. 2 (95.6%)；STOT SE 3 (93.3%)

규제 정보

Regulatory Information · 3건

Chemical: Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

Status: Active Update: 28-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20761

Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DO0750000
독성: LDLo oral in mouse: 7gm/kg
HS 번호: 29072990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: KE-03065
Hazard Classifications: Aquatic Chronic 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Use ClassificationFood Additives -> ANTIOXIDANT -> JECFA Functional Classes

General Manufacturing InformationBenzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-: ACTIVE

응용 분야 · 1건

용도3,5-Di-tert-butyl-4-hydroxybenzyl alcohol is an antioxidant used alone or in combination with other permitted antioxidants. The total amount of all antioxidants added to food must not exceed 0.02% of the oil or fat content of the food, including the essential (volatile) oil content of the food.