Completing data — usually done within a minute
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
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.)
- FLAVIS Number
- 9.218 · 09.218 | DL-Isobornyl acetate
- Flash point
- 190 °F · 190 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 0.16 g/l · 0.16g/l
- form
- Oil
- color
- Colourless
- Specific Gravity
- 0.98 · 0.98
- Odor
- 100 % · at 100.00 %. balsam camphor herbal woody sweet
- Odor Type
- balsamic
- biological source
- synthetic
- optical activity
- -2 to · [α]/D -2.0 to 2.0, neat
- Viscosity
- 4.525 mm2/s · 4.525mm2/s
- Water Solubility
- Not miscible or difficult to mix with water.
- JECFA Number
- 1388 · 1388
- BRN
- 3197572 · 3197572
- Stability
- Stable. Flammable. Incompatible with strong oxidizing agents.
- Cosmetics Ingredients Functions
- PERFUMINGFRAGRANCE
- InChI
- 1S/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
- XWIGWPJZNFZLBG-UHFFFAOYSA-N
- SMILES
- CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
- LogP
- 3.86 · 3.86
- Substances Added to Food (formerly EAFUS)
- ISOBORNYL ACETATE
- FDA 21 CFR
- 172.515 · 172.515
- CAS DataBase Reference
- 125 · 125-12-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 54 T6CCU09Z · 54T6CCU09Z
- NIST Chemistry Reference
- Isobornyl acetate(125-12-2)
- EPA Substance Registry System
- Isobornyl acetate (125-12-2)
- UNSPSC Code
- 12352108 · 12352108
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P332+P313-P362+P364
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-38
- Safety Statements
- 26 · 26-36/37/39-24/25
- WGK Germany
- 1 · 1
- RTECS
- 7350000 · NP7350000
- Autoignition Temperature
- 440 °C · 440 °C DIN 51794
- TSCA
- TSCA listed
- HS Code
- 29153900 · 29153900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazardous Substances Data
- 125 · 125-12-2(Hazardous Substances Data)
- Toxicity
- 50 orally · LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rabbit > 20000 mg/kg
- REACH Registrations
- Active
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315
- REACH Registrations
- Active
- Autoignition Temperature
- 440 °C DIN 51794
- Precautionary statements
- P264-P280-P302+P352-P332+P313-P362+P364
- Hazardous Substances Data
- 125-12-2(Hazardous Substances Data)
Chemistry & industry
Applications
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
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.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
Related reactions
No reaction records under the current filter.
Linked notes
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