AG007VDA

106-21-8 | 3,7-Dimethyloctan-1-ol

AG007VDA

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CAS Number	106-21-8
Catalog Number	AG007VDA(AGN-PC-0JK89F)
Chemical Name	3,7-Dimethyloctan-1-ol
FEMA Number	2391
IUPAC Name	3,7-dimethyloctan-1-ol
InChI	InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3
InChI Key	PRNCMAKCNVRZFX-UHFFFAOYSA-N
MDL Number	MFCD00002936
Molecular Formula	C10H22O
Molecular Weight	158.2811
NSC Number	18917
SMILES	CC(CCCC(C)C)CCO
Synonyms	3,7-dimethyl-1-octanol, 3,7-dimethyloctan-1-ol, 3,7-dimethyloctan-1-ol, titanium salt, dihydrocitronellol, tetrahydrogeraniol, 3,7-Dimethyl-1-octanol, 3,7-Dimethyloctan-1-ol, Tetrahydrogeraniol, 106-21-8, Dimethyloctanol, Pelargol, Dihydrocitronellol, Perhydrogeraniol, Geraniol tetrahydride, Citronellol, dihydro-, 1-OCTANOL, 3,7-DIMETHYL-, Geraniol, perhydro-, 2,6-Dimethyl-8-octanol, Dimethyl octanol, Geraniol, tetrahydro-, 1-Octanol, dimethyl-, Dimethyloctan-2-ol, (R)-Dihydrocitronellol, NSC 18917, FEMA No. 2391, EINECS 203-374-5, BRN 1719638, AI3-11222, 1333-49-9, PRNCMAKCNVRZFX-UHFFFAOYSA-N, S-3,7-Dimethyl-1-octanol, 1-Octanol, 3,7-dimethyl-, (R)-, 1-Octanol,3,7-dimethyl-, (3S)-, W-109392, 3,7-Dimethyl-1-octanol, 95%, 68680-98-8, 1-Octanol, 3,7-dimethyl-, (S)-, Perhydro-Geraniol, tetrahydro geraniol, Dihydro-Citronellol, Tetrahydro-Geraniol, dimethyl-1-octanol, EINECS 215-593-3, 3,7-dimethyloctanol, 3,7-dimethyloctan-ol, ACMC-1BSIM, 1-Octanol,7-dimethyl-, AC1Q7CHZ, EC 203-374-5, AC1L1PK6, AC1Q1PC9, 3,7-Dimethyl-octan-1-ol, DSSTox_CID_24360, DSSTox_RID_80168, DSSTox_GSID_44360, SCHEMBL27965, 1-01-00-00214 (Beilstein Handbook Reference), (+/-)-3,7-dimethyloctanol, 3,7-Dimethyl-(R)-1-Octanol, 3,7-Dimethyl-(S)-1-Octanol, CHEMBL3181881, DTXSID5044360, CTK5C8331, KS-00000VZJ, NSC18917, Tox21_300961, ANW-15320, LMFA05000565, MFCD00002936, NSC-18917, 3,7-Dimethyl-1-octanol, >=98%, 1-octanol, 3,7-dimethyl-, ( )-, AKOS004905708, 3,7-Dimethyl-(.+/-.)-1-Octanol, LS-2688, MCULE-5211094918, RTR-001234, NCGC00248230-01, NCGC00254863-01, AN-22301, AN-22415, CAS-106-21-8, CC-13758, WLN: Q2Y1 & 3Y1 & 1, Tetrahydrogeraniol;3,7-Dimethyl-1-octanol, TR-001234, 1-Octanol, 3,7-dimethyl-, (.+/-.)-, D1442, FT-0625148, 3,7-Dimethyl-1-octanol, >=98%, FCC, FG, C-33688, I14-44483, Geraniol perhydro-, Citronellol dihydro-, Geraniol tetrahydro-, GERANIOL, UNII-DPY9K1927C, 2 6-Dimethyl-8-octanol, 3 7-Dimethyl-1-octanol, 3 7-Dimethyloctane-1-ol, 1-octanol, 3,7-dimetil-, DPY9K1927C, C10H22O, CID7792, 3,7 - dimethyloctan - 1 - ol, AR-1F0213, C10-H22-O, 3,7-dimethyloctan-1-ol, titanium salt, 3,7-Dimethyl-octanol, 98% - 100ML 100ml, C063573, 1117-60-8, 64Z, 70230-78-3,

Complexity	78.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.167g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.285g/mol
Monoisotopic Mass	158.167g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H319-H411
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 3082

Certificate of Analysis

Lot Number