AG000FJX

115-18-4 | 3-Buten-2-ol, 2-methyl-

AG000FJX

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CAS Number	115-18-4
Catalog Number	AG000FJX(AGN-PC-0JK8G4)
Chemical Name	3-Buten-2-ol, 2-methyl-
EC Number	204-068-4
IUPAC Name	2-methylbut-3-en-2-ol
InChI	InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3
InChI Key	HNVRRHSXBLFLIG-UHFFFAOYSA-N
MDL Number	MFCD00004470
Molecular Formula	C5H10O
Molecular Weight	86.1323
NSC Number	15977
RTECS Number	EM9472000
SMILES	C=CC(O)(C)C
UNII	SH64HE46L9
Synonyms	2-methyl-3-buten-2-ol, 3-hydroxy-3-methylbutene, 3-hydroxy-3-methylbutene, aluminum salt, 3-hydroxy-3-methylbutene, geranium (4+) salt, 3-hydroxy-3-methylbutene, niobium (5+) salt, 3-hydroxy-3-methylbutene, tantalum salt, 3-hydroxy-3-methylbutene, titanium salt, dimethylvinylcarbinol, 2-METHYL-3-BUTEN-2-OL, 115-18-4, 2-Methylbut-3-en-2-ol, 1,1-Dimethylallyl alcohol, Methylbutenol, 3-Hydroxy-3-methyl-1-butene, 3-Buten-2-ol, 2-methyl-, Dimethylvinylcarbinol, Dimethylvinylmethanol, Vinyldimethylcarbinol, isoprenyl alcohol, 3-Methyl-1-buten-3-ol, 3-Hydroxy-3-methylbutene, 1,1-Dimethyl-2-propenol, 2-Methyl-3-butene-2-ol, 2-Methyl-2-hydroxy-3-butene, 1,1-Dimethylallyl alchol, 2-Methyl-3-buten-2-yl alcohol, alpha,alpha-Dimethylallyl alcohol, 1,1-Dimethyl-2-propanol, 3-Methyl-buten-(1)-ol-(3), CH2=CHC(CH3)2OH, UNII-SH64HE46L9, NSC 15977, 2-Methyl but-3-ene-2-ol, 1-Buten-3-ol, 3-methyl-, C5H10O, dimethyl vinyl carbinol, EINECS 204-068-4, .alpha.,.alpha.-Dimethylallyl alcohol, 3-Methyl-1-butene-3-ol, BRN 1698263, 3-Methyl-buten-(1)-ol-(3) [German], 3-Butyn-2-ol, 2-methyl- (8CI,9CI), 3-hydroxy-3-methylbut-1-ene, AI3-23122, SH64HE46L9, 1,1-Dimethyl-2-propen-1-ol, HNVRRHSXBLFLIG-UHFFFAOYSA-N, MFCD00004470, 2-Methyl-3-buten-2-ol, 97%, 2-vinyl-2-propanol, 3-methyl-buten-3-ol, 1-dimethyl-2-propenol, 1-dimethylallyl alcohol, AC1L1QLP, AC1Q1NNW, 3-methylbut-1-en-3-ol, ACMC-1C7AH, 2-methylbut-3-ene-2-ol, EC 204-068-4, 2-methyl-but-3-en-2-ol, 3-methyl-but-1-en-3-ol, 1, 1-Dimethyl-2-propenol, 1, 1-Dimethylallyl alcohol, DSSTox_CID_27471, DSSTox_GSID_47471, 4-01-00-02132 (Beilstein Handbook Reference), KSC175E7B, methyl-3-buten-2-ol, 2-, 2-hydroxy-2-methyl-3-butene, 3-methyl-3-hydroxybut-1-ene, AC1Q718W, Jsp001113, DTXSID3047471, 1,1-Dimethyl-2-propenyl alcoho, CTK0H5270, KS-00000UWF, 1,1-dimethyl-2-propenyl alcohol, CHEBI:132752, 2-Methyl-3-buten-2-ol, 98%, NSC15977, ZINC1733761, Tox21_303823, 7316AF, ANW-16850, NSC-15977, 2-Methyl-3-buten-2-ol, >=98%, AKOS009156785, MCULE-5809739830, RTR-034118, TRA0020327, NCGC00357265-01, AN-22741, CAS-115-18-4, CJ-29489, LS-47240, DB-060705, TR-034118, 2-Methyl-3-buten-2-ol, analytical standard, FT-0612937, M0178, C21402, I14-17405, InChI=1/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H, Bromal, MBL (CHRIS Code), CID8257, C5-H10-O, AR-1E3874, BUT-3-EN-2-OL, 2-METHYL-, 2 - methylbut - 3 - en - 2 - ol, 2-Methyl-3-buten-2-ol, 97% - 1L 1l, 68278-01-3,

Complexity	55
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	86.073g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	86.134g/mol
Monoisotopic Mass	86.073g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225-H302-H315-H319
Packing Group	Ⅱ
Precautionary statements	P210-P280-P301+P312+P330-P305+P351+P338-P337+P313-P403+P235
UN Code	UN 1987

Certificate of Analysis

Lot Number