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Isobornyl acetate(CAS No. 125-12-2)

Isobornyl acetate C12H20O2 (cas 125-12-2) Molecular Structure

125-12-2 Structure

Identification and Related Records

【Name】
Isobornyl acetate
【CAS Registry number】
125-12-2
【Synonyms】
Bicyclo[2.2.1]heptan-2-ol, 1,7, 7-trimethyl-, acetate, exo-
Acetic acid, isobornyl ester
Pichtosin
Bicyclo[2.2.1]heptan-2-ol,1,7,7-trimethyl-,acetate,(1R,2R,4R)-rel-
Isoborneol, acetate
Pichinde virusPichtosin
[(1S,2S,4R)-1,7,7-trimethylnorbornan-2-yl] acetate
Pichtosine
Iso-Bornyl Acetate
Iso bornyl acetate 97%min
Iso Bornyl Acetate
【EINECS(EC#)】
204-727-6
【Molecular Formula】
C12H20O2 (Products with the same molecular formula)
【Molecular Weight】
196.29
【Inchi】
InChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12-/m0/s1
【InChIKey】
KGEKLUUHTZCSIP-SQLBVSGCSA-N
【Canonical SMILES】
CC(=O)OC1CC2CCC1(C2(C)C)C
【Isomers smiles】
CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C2(C)C)C
【MOL File】
125-12-2.mol

Chemical and Physical Properties

【Appearance】
clear liquid
【Density】
0.978
【Melting Point】
29℃
【Boiling Point】
220-224℃
【Vapour】
0.0959mmHg at 25°C
【Refractive Index】
1.463-1.465
【Flash Point】
190 °F
【Solubilities】
Insoluble
【Stability】
Stable. Flammable. Incompatible with strong oxidizing agents.
【Storage temp】
Store in a cool, dry place.
【Computed Properties】
Molecular Weight:196.286 [g/mol]
Molecular Formula:C12H20O2
XLogP3:3.3
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:196.14633
MonoIsotopic Mass:196.14633
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Formal Charge:0
Complexity:270
Isotope Atom Count:0
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【Safety】

Safety Information of Isobornyl acetate (CAS NO.125-12-2):
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin??
Safety Statements:26-36/37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
36/37/39:Wear suitable protective clothing, gloves and eye/face protection?
WGK Germany:1
RTECS:NP7350000
Low toxicity by ingestion. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.

【Transport】
190kgs
【Specification】

?Isobornyl acetate , its CAS NO. is 125-12-2, the synonyms are 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, exo- ; 2-Bornyl acetate, exo- ; 2-Camphanyl acetate, exo- ; Acetic acid, isobornyl ester ; Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, exo- ; Isobornyl ethanoate ; Pichtosin ; Pichtosine? ; Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel- ; Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel- ; Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, exo- (9CI) ; exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acetate .

【Report】

Reported in EPA TSCA Inventory.

Use and Manufacturing

【Usage】

Used extensively in low-cost household fragrances, soap, perfumes and industrial fragrances. Used to compound pine-needle odours, make synthetic camphor. Used as a flavouring agent.

Supplier Location

Top Suppliers

Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member Nanjing Bangnuo Biotechnology Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-25-52113793
Diamond member shijiazhuang guizheng trade co.,ltd
Country:ChinaChina
Business Type:Trading Company
Telephone:86-312-18103315327
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Shenzhen Simeiquan Biotechnology Co.Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-20-18102838259
Chengdu Herbpurify CO.,LTD
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-28-85249238
Hubei Yuancheng Saichuang Technology Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-68886732
Jinan Haohua Industry Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-531-58773055
Shanghai Forever Synthesis Co.,Ltd.
Country:ChinaChina
Business Type:Distributor/Wholesaler
Telephone:86-21-61124658
Zhejiang Haiqiang Chemical Co.,Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-86960370

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