Basic information
- CAS
31291-60-8- Standard SMILES
CCC(C)c1cccc(C(C)CC)c1O- InChIKey
FHTGJZOULSYEOB-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Overview
See also: Bis(1-methylpropyl)phenol (annotation moved to).
Names & identifiers
- Preferred name
- 2,6-Di-sec-butylphenol
- IUPAC
- 2,6-di(butan-2-yl)phenol
- English name
- Di-sec-butylphenol
- Molecular formula
- C14H22O
- Molecular weight
- 206.32
Names & synonyms
2,6-Di-sec-butylphenol5510-99-62,6-di(butan-2-yl)phenolPhenol, 2,6-bis(1-methylpropyl)-PHENOL, 2,6-DI-sec-BUTYL-2,6-Di-sec-butylfenolDTXSID0044440BRN 22583052,6-Di-sec-butylfenol [Czech]EINECS 226-854-6UNII-862GFQ832E862GFQ832E
Show more names
DSBPDI-S-BUTYLPHENOL2,6-DI-S-BUTYLPHENOL2,6-di-sec-butyl-pheno2,6-bis(1-methylpropyl)-pheno
DTXCID8024440EC 226-854-64-06-00-03490 (Beilstein Handbook Reference)RefChem:83099226-854-6FHTGJZOULSYEOB-UHFFFAOYSA-NDi-sec-butylphenol31291-60-8
Database identifiers
- CAS
31291-60-8、5510-99-6- PubChem CID
- 21685
- DTXSID
DTXSID0044440- ChEMBL
CHEMBL416393- UNII
- 862GFQ832E
- EC Number
- 226-854-6、250-550-2
- Nikkaji
- J50.126C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
LogP4.38
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLiquid
Collision Cross Section151.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0044440]
Physicochemical properties
- Melting point
- 42 °C · −42 °C(lit.)
- Boiling point
- 255 · 255-260 °C(lit.)
- Density
- 0.918 g/mL · 0.918 g/mL at 25 °C(lit.)
- vapor pressure
- 0.01 mm · <0.01 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.508(lit.)
- Flash point
- 261 °F · 261 °F
- pka
- 10.57 · 10.57±0.50(Predicted)
- CAS DataBase Reference
- 5510 · 5510-99-6
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 862 GFQ832E · 862GFQ832E
- NIST Chemistry Reference
- 2 · Phenol, 2,6-bis(1-methylpropyl)-(5510-99-6)
- EPA Substance Registry System
- 2 · Phenol, 2,6-bis(1-methylpropyl)- (5510-99-6)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
- Hazard Codes
- C,Xi
- Risk Statements
- 34 · 34-36/37/38
- Safety Statements
- 26 · 26-27-28-36/37/39-45-24/25
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 8225000 · SK8225000
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- PackingGroup
- III
- HS Code
- 29071990 · 29071990
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 30.6% (63 of 206) of reports.
Danger
H302 (50.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P332+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 206 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 1.2% (1 of 85) of reports.
Hazard information
Regulatory Information
Chemical: Phenol, bis(1-methylpropyl)-
Phenol, bis(1-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, bis(1-methylpropyl)- 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: 30-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/1152
Status: Active Update: 26-09-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/11944
Phenol, bis(1-methylpropyl)-: 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 Categories
Acute Tox. 4 (50.5%)
Acute Tox. 4 (80%)
Hazardous to the aquatic environment (Acute) - Category 1
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SK8225000
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29071990
- risk_code
- 34-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- safety_code
- 26-27-28-36/37/39-45-24/25
- hazard_class
- 9
- packing_group
- III
- Hazard statements
- H314
- REACH Registrations
- Active
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesSurfactant (surface active agent)
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Phenol, 2,6-bis(1-methylpropyl)-: ACTIVE
Phenol, bis(1-methylpropyl)-: ACTIVE
Suppliers5 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
7 records
Compound notes
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