3-tert-Butyltoluene

HCID 33711

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

3-tert-ButyltolueneRefChem:505413677-961-31075-38-31-tert-Butyl-3-methylbenzene1-(tert-Butyl)-3-methylbenzeneToluene, m-tert-butyl-MFCD00059210Benzene, 1-(1,1-dimethylethyl)-3-methyl-m-tert-Butyltoluene1-Methyl-3-tert-butylbenzenebutyltoluol
Show more names
m-t-butyltoluenetoluene,m-tert-butyl-3-tert-Butyltoluene >1-METHYL-3-t-BUTYLBENZENE
NSC237003-(tert-Butyl)tolueneSCHEMBL348758SCHEMBL349313SCHEMBL887637SCHEMBL9333751-methyl-3-tert-butyl-benzene1-tert-butyl-3-methyl-benzene

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

Experimental & physicochemical properties

Kovats Retention Index · 3 items

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

Safety & regulation

GHS classification

GHS Classification · 5 items

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

Hazard Classes and CategoriesFlam. Liq. 3 (20%);Acute Tox. 3 (20%);Acute Tox. 3 (20%);Acute Tox. 3 (100%)

Safety data

ridadr
2667
hs_code
2902.90.3050
Signal word
Danger
Symbol(GHS)
GHS02,GHS06,GHS09
hazard_class
6.1
packing_group
III

Chemistry & industry

Suppliers37 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]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Related reactions

19 records

Compound notes

Loading…