Basic information
- CAS
1075-38-3- Standard SMILES
Cc1cccc(C(C)(C)C)c1- InChIKey
JTIAYWZZZOZUTK-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- 3-tert-Butyltoluene
- IUPAC
- 1-tert-butyl-3-methylbenzene
- English name
- 3-TERT-BUTYLTOLUENE
- Molecular formula
- C11H16
- Molecular weight
- 148.24
Names & synonyms
Show more names
Database identifiers
- CAS
1075-38-3- PubChem CID
- 33711
- DTXSID
DTXSID10148068- EC Number
- 677-961-3
- Nikkaji
- J54.459K
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
Kovats Retention Index
1072;1067;1068;1072;1067.5;1067
1053.6;1056.1;1051.12;1062.3;1083;1052
1322;1330;1332;1343;1353;1361;1296
Physicochemical properties
- Melting point
- -41 °C · -41 °C
- Boiling point
- 189 °C · 189 °C
- Density
- 0.87 · 0.87
- refractive index
- 1.494 · 1.4940-1.4960
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 8.2 · 8.2×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- CAS DataBase Reference
- 1075 · 1075-38-3
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 226 · H226-H301+H311+H331-H227-H302-H319-H331-H335-H401-H411
- Precautionary statements
- 210 e-P280a-P305+P351+P338-P501a-P210-P233-P240-P241+P242+P243-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P370+P378-P403+P233-P405-P501 · P210e-P280a-P305+P351+P338-P501a-P210-P233-P240-P241+P242+P243-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P370+P378-P403+P233-P405-P501
- RIDADR
- 2667 · 2667
- HS Code
- 2902.9 · 2902.90.3050
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (20%): Flammable liquid and vapor [Warning Flammable liquids];H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (20%): Toxic in contact with skin [Danger Acute toxicity, dermal];H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation];H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (80%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P337+P317, P361+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 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
Safety data
- ridadr
- 2667
- hs_code
- 2902.90.3050
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS09
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H226-H301+H311+H331-H227-H302-H319-H331-H335-H401-H411
- Precautionary statements
- P210e-P280a-P305+P351+P338-P501a-P210-P233-P240-P241+P242+P243-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P370+P378-P403+P233-P405-P501
Chemistry & industry
Suppliers37 total
Related reactions
Compound notes
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