AG0016K2

122-72-5 | BENZENEPROPANOL, 1-ACETATE

AG0016K2

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CAS Number	122-72-5
Catalog Number	AG0016K2(AGN-PC-0O0H4I)
Chemical Name	BENZENEPROPANOL, 1-ACETATE
EC Number	204-569-8
FEMA Number	2890
IUPAC Name	3-phenylpropyl acetate
InChI	InChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChI Key	JRJGKUTZNBZHNK-UHFFFAOYSA-N
MDL Number	MFCD00026216
Molecular Formula	C11H14O2
Molecular Weight	178.2277
NSC Number	404453
SMILES	CC(OCCCC1=CC=CC=C1)=O
UNII	AKW166708I
Synonyms	3-phenylpropyl acetate, 3-Phenylpropyl acetate, 122-72-5, Hydrocinnamyl acetate, Benzenepropanol, acetate, Phenylpropyl acetate, (3-Acetoxypropyl)benzene, 1-Acetoxy-3-phenylpropane, 3-Acetoxy-1-phenylpropane, 3-Phenyl-1-propyl acetate, 3-Phenyl-1-propanol, acetate, Benzenepropanol, 1-acetate, Benzenepropyl acetate, 1-PROPANOL, 3-PHENYL-, ACETATE, NSC 404453, UNII-AKW166708I, FEMA No. 2890, 3-Phenylpropyl acetate (natural), EINECS 204-569-8, BRN 0744307, .gamma.-Phenylpropyl acetate, AI3-18533, Acetic Acid 3-Phenylpropyl Ester, AKW166708I, MFCD00026216, 1-Propanol, acetate, ACMC-209amb, 3-phenyl propyl acetate, Benzenepropanol,1-acetate, Acetic acid 3-phenylpropyl, AC1L1L6J, SCHEMBL1051, DSSTox_CID_27648, DSSTox_RID_82475, WLN: 1VO3R, DSSTox_GSID_47648, DTXSID2047648, CHEBI:81257, CTK4B3233, FEMA 2890, acetic acid 3-phenyl-propyl ester, JRJGKUTZNBZHNK-UHFFFAOYSA-N, ZINC1597265, Tox21_302587, 5869AF, ANW-18033, NSC404453, laquo gammaRaquo -phenylpropyl acetate, AKOS015888394, LS-3048, NSC-404453, NCGC00256801-01, AK176122, AN-22887, CAS-122-72-5, TC-106778, 3-Phenylpropyl acetate, >=98%, FCC, FG, A1225, ST50405477, C17663, I01-10160, 3 - phenylpropyl acetate, Bencenepropanol, 1-acetato, ACETATE, 3-PHENYLPROPYL, BENZENEPROPANOL, PROPANOATE, C11H14O2, CID31226, C11-H14-O2, 4-06-00-03201 (Beilstein Handbook Reference),

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.099g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.231g/mol
Monoisotopic Mass	178.099g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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