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| CAS Number | 106-22-9 |
| Catalog Number | AG002TG2(AGN-PC-00S7F7) |
| Chemical Name | 6-Octen-1-ol, 3,7-dimethyl- |
| FEMA Number | 2309 |
| IUPAC Name | 3,7-dimethyloct-6-en-1-ol |
| InChI | InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3 |
| InChI Key | QMVPMAAFGQKVCJ-UHFFFAOYSA-N |
| MDL Number | MFCD00002935 |
| Molecular Formula | C10H20O |
| Molecular Weight | 156.2652 |
| NSC Number | 8779 |
| SMILES | CC(CCO)CCC=C(C)C |
| Synonyms | citronellol,
citronellol, (+-)-isomer,
citronellol, (R)-isomer,
citronellol, (S)-isomer,
citronellol, titanium (+4) salt,
Citronellol,
106-22-9,
3,7-Dimethyloct-6-en-1-ol,
beta-Citronellol,
3,7-DIMETHYL-6-OCTEN-1-OL,
DL-Citronellol,
Cephrol,
6-Octen-1-ol, 3,7-dimethyl-,
Elenol,
Rodinol,
2,3-Dihydrogeraniol,
2,6-Dimethyl-2-octen-8-ol,
.beta.-Citronellol,
CHEBI:50462,
NSC 8779,
MFCD00002935,
(+/-)-beta-Citronellol,
3,7-dimethyl-oct-6-en-1-ol,
NSC8779,
QMVPMAAFGQKVCJ-UHFFFAOYSA-N,
Citronellol, 95%,
26489-01-0,
Citronellol (natural),
(+/-)-3,7-dimethyloct-6-en-1-ol,
ST069325,
DSSTox_CID_6726,
DSSTox_RID_78201,
DSSTox_GSID_26726,
l-Citronellol,
W-108771,
W-109198,
W-110227,
CCRIS 7452,
EINECS 203-375-0,
Citronellol, dl-,
BRN 1721507,
CAS-106-22-9,
AI3-25080,
Citronellol (ex. Java citronella oil) (natural),
(+-)-beta-citronellol,
(+-)-CITRONELLOL,
(R)-(+)-.beta.-Citronellol,
Dihydrogeraniol,
(+/-)-beta-Citronellol, primary pharmaceutical reference standard,
Levo-citronellol,
AK-68278,
6-Octen-1-ol, 3,7-dimethyl-, (S)-,
EINECS 247-737-6,
Oils,geranium,sapond.,
beta-Citronellol, 95%,
(+-)-beta;-Citronellol,
CITRONELLOL BRI FCC,
ACMC-2098iz,
EC 203-375-0,
AC1L1RT1,
AC1Q2A1O,
SCHEMBL21320,
4-01-00-02188 (Beilstein Handbook Reference),
6-Octen-1-ol,7-dimethyl-,
68916-43-8,
KSC492E7L,
MLS002415719,
3,7-dimethyl-oct-6-en1-ol,
CHEMBL395827,
DTXSID3026726,
CTK3J2275,
HSDB 6805,
KS-00000URS,
WLN: Q2Y1&3UY1&1,
HMS2267B17,
BB_NC-00067,
Citronellol, >=95%, FCC, FG,
NSC-8779,
ZX-AT010559,
Tox21_202119,
Tox21_300003,
ANW-15321,
BBL009826,
BDBM50037035,
OR6011,
SBB012357,
STK085542,
AKOS005393175,
MCULE-4204888723,
RTR-001235,
ACM26489010,
NCGC00091348-01,
NCGC00091348-02,
NCGC00091348-03,
NCGC00091348-04,
NCGC00254145-01,
NCGC00259668-01,
AN-22416,
AS-14688,
BP-21491,
CC-25897,
M190,
SMR000112138,
DB-074976,
TR-001235,
(+/-)-beta-Citronellol, analytical standard,
FT-0622896,
FT-0693159,
( inverted exclamation markA)-|A-Citronellol,
C-33687,
Citronellol, mixture of isomers, natural, >=95%, FG,
I14-113476,
Rhodinol,
(-)-beta-Citronellol,
Geranium oil, residue,
Oils, geranium, sapond.,
2-mercaptobutanoic acid,
Citronellol, (+-)-,
Geranium oil, saponified,
citronellol, (R)-isomer,
citronellol, (S)-isomer,
UNII-565OK72VNF,
(+/-)-?-Citronellol,
Oils, geranium, saponified,
citronellol, (+-)-isomer,
FEMA No. 2309,
UNII-P01OUT964K,
C10H20O,
565OK72VNF,
(S)-3,7-dimethyloct-6-en-1-ol,
6-octen-1-ol, 3,7-dimetil-,
CID8842,
citronellol, titanium (+4) salt,
AR-1I2390,
c0370,
C10-H20-O,
c1013,
(-)-3,7-Dimethyloct-6-en-1-ol,
(1)-3,7-Dimethyloct-6-en-1-ol,
(3S)-3,7-dimethyloct-6-en-1-ol,
(+-)-3,7-dimethyloct-6-en-1-ol,
Citronellol, 95% - 100g 100g,
ACN-052274,
3,7-Dimethyl-6-octen-1-ol, (+-)-,
6-Octen-1-ol, 3,7-dimethyl-, (R)-,
6-Octen-1-ol, 3,7-dimethyl-, (3R)-,
6-Octen-1-ol, 3,7-dimethyl-, (3S)-,
7540-51-4,
6-Octen-1-ol, 3,7-dimethyl-, (+-)-,
6-Octen-1-ol, 3,7-dimethyl-, (.+.)-,
6-Octen-1-ol, 3,7-dimethyl-, (.+-.)-,
C007078,
107438-79-9,
1117-61-9,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.269g/mol |
| Monoisotopic Mass | 156.151g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
| Symbol: | |
| Hazard Class | 9 |
| Hazard statements | H315-H317-H319 |
| Packing Group | Ⅲ |
| Precautionary statements | P280-P305+P351+P338 |
| UN Code | UN 3082 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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