Isobornyl acetate

HCID 6950273CAS 125-12-2

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Basic information

Standard SMILES
CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChIKey
KGEKLUUHTZCSIP-JBLDHEPKSA-N
Molecular formula
C12H20O2
Average molar mass
196.29 g/mol
Monoisotopic mass
196.14632988

Names & identifiers

Preferred name
Isobornyl acetate
IUPAC
(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate
English name
Isobornyl acetate
Molecular formula
C12H20O2
Molecular weight
196.29

Names & synonyms

Isobornylexo-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetatePichtosineIsomethyl lononeFEMA 2160Pichtosin2-CAMPHANYL ACETATED,L-ISOBORNYL ACETATE1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetateNsc62486

Database identifiers

CAS
125-12-2
PubChem CID
6950273
DTXSID
DTXSID7042061
EC Number
204-727-6
Nikkaji
J232.198J

Properties

Physicochemical properties

Melting point
29 °C · 29°C
Boiling point
229 · 229-233 °C (lit.)
Density
0.983 g/mL · 0.983 g/mL at 25 °C (lit.)
vapor pressure
0.13 hPa · 0.13 hPa (20 °C)
FEMA
2160 · 2160 | ISOBORNYL ACETATE
refractive index
20 · n20/D 1.4635(lit.)

Safety & regulation

Safety data

wgk
1
tsca
TSCA listed
rtecs
NP7350000
hs_code
29153900
Toxicity
LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rabbit > 20000 mg/kg
risk_code
36/37/38-38

Chemistry & industry

Applications · 4 items

DescriptionIsobornyl acetate is a kind of acetate ester. It can be manufactured through the esterification between acetate and camphene. It is a kind of flavoring agent with fragrance. It can be used as the intermediate needed for producing medical synthetic camphor.

OccurrenceReported found in thymus, Parmesan cheese, dill herb, Ocimum basilicum, rosemary and custard apple

UsesIsobornyl acetate is one of the most important chemicals used in the perfumery industry. It is used in toiletries and soaps as a flavoring agent and antiseptics. One of main applications is as an intermediate to produce camphor.

UsesCompounding pine-needle odors, toilet waters, bath preparations, antiseptics, theater sprays, soaps, making synthetic camphor, flavoring agent.

Preparation methods · 1 item

PreparationIsobornyl Acetate is prepared by treatment of camphene with acetic acid, usually in the presence of a catalyst; also by acetylation of isoborneol; depending on the starting material (d-camphene or l-camphene), the resulting acetate may exhibit slight optical activity; the commercial product is considered to be optically inactive.

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]

Related reactions

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