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| CAS Number | 115-95-7 |
| Catalog Number | AG000FK5(AGN-PC-0NYW1E) |
| Chemical Name | Linalyl Acetate |
| FEMA Number | 2636 |
| IUPAC Name | 3,7-dimethylocta-1,6-dien-3-yl acetate |
| InChI | InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3 |
| InChI Key | UWKAYLJWKGQEPM-UHFFFAOYSA-N |
| MDL Number | MFCD00008907 |
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.2860 |
| NSC Number | 2138 |
| RTECS Number | RG5910000 |
| SMILES | O=C(OC(C=C)(C)CCC=C(C)C)C |
| Synonyms | linalyl acetate,
linalyl acetate, (+-)-isomer,
linalyl acetate, (R)-isomer,
linalyl acetate, (S)-isomer,
LINALYL ACETATE,
115-95-7,
Linalool acetate,
Bergamiol,
Bergamol,
3,7-dimethylocta-1,6-dien-3-yl acetate,
Linalol acetate,
Lynalyl acetate,
Licareol acetate,
Bergamot mint oil,
Acetic acid linalool ester,
3,7-Dimethyl-1,6-octadien-3-ol acetate,
3,7-Dimethyl-1,6-octadien-3-yl acetate,
1,6-Octadien-3-ol, 3,7-dimethyl-, acetate,
Ex bois de rose (synthetic),
Phanteine,
Dehydrolinalool, acetate,
Aetic Acid Linalool Ester,
Linalyl acetate (natural),
NSC 2138,
FEMA No. 2636,
HSDB 644,
LINALYL ACETATE SYNTHETIC,
EINECS 204-116-4,
EINECS 254-806-4,
MFCD00008907,
1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate,
1,5-Dimethyl-1-vinyl-4-hexenyl acetate,
3,7-Dimethyl-1,6-ctadien-3-ol acetate,
AI3-00941,
CHEBI:78333,
(1)-1,5-Dimethyl-1-vinylhex-4-enyl acetate,
UWKAYLJWKGQEPM-UHFFFAOYSA-N,
(1,5-dimethyl-1-vinyl-hex-4-enyl) acetate,
1,5-dimethyl-1-vinylhex-4-en-1-yl acetate,
DSSTox_CID_6946,
DSSTox_RID_78265,
DSSTox_GSID_26946,
W-108587,
Linalyl acetate, 95%, synthetic,
CAS-115-95-7,
(+)-1,5-Dimethyl-1-vinylhex-4-enyl acetate,
LINALYL ACETATER,
linaloyl acetate,
linalyl acetate terpenes,
(-)-S-Linalyl acetate,
AC1L1QON,
Acetic acid-linalyl ester,
Acetic Acid Linalyl Ester,
ACMC-1C6LT,
1,6-Octadien-3-ol, 3,7-dimethyl-, acetate, (3R)-,
EC 204-116-4,
1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate, (3R)-,
3,6-octadien-3-ol acetate,
3,6-octadien-3-yl acetate,
SCHEMBL58028,
(.+/-.)-Linalyl acetate,
KSC175K8R,
1, 3,7-dimethyl-, acetate,
CHEMBL502773,
Jsp001150,
DTXSID7026946,
WLN: 1Y&U3Y1U1OV1,
CTK0H5588,
FEMA 2636,
Linalyl acetate(Linalool acetate),
NSC2138,
s141,
Linalyl acetate, natural, >=80%,
KS-00000YI6,
NSC-2138,
Linalyl acetate, analytical standard,
Tox21_201306,
Tox21_303134,
ANW-16924,
AKOS015901735,
Linalyl acetate, >=97%, FCC, FG,
LS-2882,
RTR-002983,
ACM115957|1,
3,7-dimethyl-1,6octadien-3-yl acetate,
NCGC00164001-01,
NCGC00164001-02,
NCGC00257047-01,
NCGC00258858-01,
AC-20000,
AK114170,
AN-22752,
CC-29958,
3,7-dimethylocta-1,6-diene-3-yl acetate,
TR-002983,
FT-0627862,
L0049,
ST24028245,
3,7-Dimethyl-acetate(3R)-1,6-Octadien-3-ol,
(+)-3,7-Dimethyl-1,6-octadien-3-ol acetate,
1,6-Octadien-3-ol, 3, 7-dimethyl-, acetate,
3,7-Dimethyl-1,6-octadien-3-yl acetate 97%,
3,7-Dimethyl-1,6-octadien-3-yl acetate, 97%,
3,7-Dimethyl-3-acetate(3R)-1,6-Octadien-3-ol,
C-34800,
I14-14689,
1189-35-1,
linalylacetate,
acetato de linalol,
dl-Linalool acetate,
(R)-Linalyl acetate,
(+-)-Linalyl acetate,
(+-)-Linaloyl acetate,
Linalool acetate (6CI),
Linalyl acetate, (+)-,
UNII-5K47SSQ51G,
UNII-3ID3M89AV9,
acetato de linalilo (+-)-,
acetato de linaloil (+-)-,
linalyl acetate, (R)-isomer,
linalyl acetate, (S)-isomer,
5K47SSQ51G,
linalyl acetate, (+-)-isomer,
CID8294,
3,7-dimetil-1,6-octadien-3-ilo,
C12H20O2,
EINECS 257-347-8,
1,5---dimetil-1-vinilo 4-hexenilo,
3-acetoxi-3,7-dimetil-1,6-octadieno,
ACN-047552,
C12-H20-O2,
3-Acetoxy-3 7-dimethyl-1 6-octadiene,
1 5-Dimethyl-1-vinyl-4-hexenyl acetate,
3 7-Dimethyl-1 6-octadien-3-yl acetate,
Linalyl acetate, 95% - 100ML 100ml,
3,7-Dimethyl-1,6-octadien-3-ol 3-acetate,
1,6-octadien-3-ol, 3,7-dimetil-, acetato,
(+-)-1,5-dimethyl-1-vinylhex-4-enyl acetate,
1,6-octadien-3-ol, 3,7-dimetil-, 3-acetato,
16-Octadien-3-ol37-dimethyl-acetate (8CI9CI),
methyl 2-(5-methyl-2-phenyloxazol-4-yl)acetate,
C074463,
ACETATE, 3,7-DIMETHYL-1,6-OCTADIEN-3-YL,
51685-40-6,
16409-44-2,
16509-46-9,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.29g/mol |
| Monoisotopic Mass | 196.146g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
| Symbol: | |
| Hazard Class | 9 |
| Hazard statements | H227-H315-H319 |
| Packing Group | Ⅲ |
| Precautionary statements | P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501 |
| UN Code | UN 3082 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
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