Basic information
- Standard SMILES
CC(C)(C)c1cc(CO)cc(C(C)(C)C)c1O- InChIKey
HNURKXXMYARGAY-UHFFFAOYSA-N- Molecular formula
- C15H24O2
- Average molar mass
- 236.35 g/mol
- Monoisotopic mass
- 236.17763
Names & identifiers
- Preferred name
- Butylated hydroxymethylphenol
- IUPAC
- 2,6-ditert-butyl-4-(hydroxymethyl)phenol
- English name
- 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol
- Molecular formula
- C15H24O2
- Molecular weight
- 236.35
Names & synonyms
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
Show more names
Butylated 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
Database identifiers
- CAS
88-26-6- PubChem CID
- 6929
- DTXSID
DTXSID7020211- ChEMBL
CHEMBL225220- ChEBI
CHEBI:173703- UNII
- 46ND6GQI48
- EC Number
- 201-815-6
- Nikkaji
- J12.804J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 223
Experimental & physicochemical properties
Melting Point141 °C
Physical DescriptionSolid
Kovats Retention Index1781.4
Physicochemical properties
- Melting point
- 139 · 139-141 °C(lit.)
- Boiling point
- 214 °C · 214°C 40mm
- Density
- 0.9845 · 0.9845 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 20℃
- refractive index
- 1.5542 · 1.5542 (estimate)
- Flash point
- 214 °C/40mm · 214°C/40mm
- storage temp.
- 2 · 2-8°C
- Water Solubility
- Insoluble in water
- pka
- 12.01 · 12.01±0.40(Predicted)
- form
- Solid:particulate/powder
- color
- White to Yellow to Orange
- 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℃
- CAS DataBase Reference
- 88 · 88-26-6(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 4 · 4-HYDROXYMETHYL-2,6-DI-TERTBUTYLPHENOL
- FDA 21 CFR
- 178.255 · 178.2550
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 46 ND6GQI48 · 46ND6GQI48
- NIST Chemistry Reference
- 3 · 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol(88-26-6)
- EPA Substance Registry System
- 3 · 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenemethanol (88-26-6)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 750000 · DO0750000
- TSCA
- TSCA listed
- HS Code
- 29072990 · 29072990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 3 · Aquatic Chronic 3
- Toxicity
- 7 gm/kg · LDLo oral in mouse: 7gm/kg
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Regulatory Information
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%)
Regulatory information
Regulatory Information
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.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DO0750000
- hs_code
- 29072990
- Toxicity
- LDLo oral in mouse: 7gm/kg
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H412
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 3
- Precautionary statements
- P273-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use ClassificationFood Additives -> ANTIOXIDANT -> JECFA Functional Classes
General Manufacturing InformationBenzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-: ACTIVE
Applications
Uses3,5-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.
Uses3,5-di-Tert-butyl-4-hydroxybenzyl Alcohol is used in preparation of Difluoroketones via HFIP-catalyzed Dehydroxyfluoroalkylation.
UsesAntioxidant for gasoline and other hydrocarbons.
Upstream & downstream products
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
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广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
重庆科脉材料科技有限公司17830741407 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
上海敏寒医药科技有限公司17612188245 · [email protected]
盐城奥科联合医药科技有限公司0515-89701588 13770166955 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
重庆星灿医药科技有限公司13594048950 19923294409 · [email protected]
湖北瑞今化学有限公司027 83642615 13995607107 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Additional notes
DefinitionChEBI: 2,6-Di-tert-butyl-4-hydroxymethylphenol is an alkylbenzene.
Related reactions
7 records
Linked notes
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