Phenol,2,6-bis(1,1-dimethylethyl)-4-(methoxymethyl)

Modify Date: 2025-08-24 21:05:38

Phenol,2,6-bis(1,1-dimethylethyl)-4-(methoxymethyl) Structure
Phenol,2,6-bis(1,1-dimethylethyl)-4-(methoxymethyl) structure
Common Name Phenol,2,6-bis(1,1-dimethylethyl)-4-(methoxymethyl)
CAS Number 87-97-8 Molecular Weight 250.37600
Density 0.961g/cm3 Boiling Point 286.3ºC at 760 mmHg
Molecular Formula C16H26O2 Melting Point N/A
MSDS N/A Flash Point 90.9ºC

 Names

Name 2,6-ditert-butyl-4-(methoxymethyl)phenol
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.961g/cm3
Boiling Point 286.3ºC at 760 mmHg
Molecular Formula C16H26O2
Molecular Weight 250.37600
Flash Point 90.9ºC
Exact Mass 250.19300
PSA 29.46000
LogP 4.13360
Index of Refraction 1.496
InChIKey SCXYLTWTWUGEAA-UHFFFAOYSA-N
SMILES COCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SK8350000
CHEMICAL NAME :
Phenol, 2,6-di-tert-butyl-4-methoxymethyl-
CAS REGISTRY NUMBER :
87-97-8
BEILSTEIN REFERENCE NO. :
1879080
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H26-O2
MOLECULAR WEIGHT :
250.42
WISWESSER LINE NOTATION :
1X1&1&R BQ E1O1 CX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10650 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 13,154,1973

 Safety Information

HS Code 2909500000

 Synthetic Route

 Customs

HS Code 2909500000
Summary 2909500000 ether-phenols, ether-alcohol-phenols and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

 Bioassay

View more

Name: Activity against caspase-mediated apoptosis in mouse L1210 cells
Source: ChEMBL
Target: L1210
External Id: CHEMBL914538
Name: Cytotoxicity against mouse L1210 cells
Source: ChEMBL
Target: L1210
External Id: CHEMBL914539
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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1

 Synonyms

Agidol 42
2,6-di-tert-butyl-4-methoxymethylene-phenol
Ethyl Antioxidant 762
EINECS 201-787-5
Methyl ether of 3,5-di-tert-butyl-4-hydroxybenzene
2,6-Di-tert-butyl-4-methoxymethylphenol
Ionol 4
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