4-(TERT-BUTYL)BENZYL MERCAPTAN

CAS No.
49543-63-7
CCD No.
CCD00045145
Formula
C11 H16 S
MolWeight
180.313

Basic Information

Product Name: 4-(TERT-BUTYL)BENZYL MERCAPTAN
CAS: 49543-63-7
English Synonyms: P-TERT-BUTYLBENZENEMETHANETHIOL ; P-TERT-BUTYLBENZYL THIOL ; [4-(TERT-BUTYL)PHENYL]METHANE-1-THIOL ; [4-(TERT-BUTYL)PHENYL]METHANETHIOL ; P-TERT-BUTYLBENZYL MERCAPTAN ; 4-TERT-BUTYLBENZENEMETHANETHIOL ; 4-TERT-BUTYLBENZYLTHIOL ; 4-(TERT-BUTYL)BENZYL MERCAPTAN ; 4-TERT-BUTYLBENZYL MERCAPTAN ; 4-(1,1-DIMETHYLETHYL)BENZENEMETHANETHIOL
MDL Number.: MFCD00068220
H bond acceptor: 0
H bond donor: 0
Smile: CC(C)(C)c1ccc(cc1)CS
InChi: InChI=1S/C11H16S/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
InChiKey: InChIKey=UIYKSYBJKIMANV-UHFFFAOYSA-N

Property

Boiling Point: 102-103 DEG C/3.1 MMHG(LIT)/102-103 °C
Density: DENSITY: 0.966 G/ML AT 25 DEG C(LIT)
Physical Property: FLASHPOINT: 161.6 DEG F
FLASHPOINT: 72 DEG C
REFRACTIVE INDEX: N20/D 1.5430(LIT)
Comments: APPLICATION: REACTANT FOR: STEREOSELECTIVE THIOUREA-CATALYZED SULFA-MICHAEL ADDITION. NUCLEOPHILIC SUBSTITUTION REACTIONS. UREA-CATALYZED TRANS-THIOESTERIFICATION. SC-CATALYZED MICHAEL ADDITION. COPPER-CATALYZED DECARBOXYLATIVE CROSS-COUPLING
UNSPSC: 12142100
WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26-36
WGK Germany: 3
Flash point: 72 °C

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