CAS 5257-37-4 Bicyclo(2.2.1)hept-5-en-2-ol, 2-acetate (HCID 95688)

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Basic information

CAS: 5257-37-4
Standard SMILES: CC(=O)OC1CC2C=CC1C2
InChIKey: DRWRVXAXXGJZIO-UHFFFAOYSA-N
Molecular formula: C9H12O2
Average molar mass: 152.19 g/mol
Monoisotopic mass: 152.08372962

Overview

structure in first source

Names & identifiers

Preferred name: Bicyclo(2.2.1)hept-5-en-2-ol, 2-acetate
IUPAC: 2-bicyclo[2.2.1]hept-5-enyl acetate
English name: 5-Norbornen-2-yl acetate
Molecular formula: C9H12O2
Molecular weight: 152.19

Names & synonyms

6143-29-92-Acetoxy-5-norborneneRefChem:854700Bicyclo(2.2.1)hept-5-en-2-ol, 2-acetate228-144-15-Norbornen-2-yl acetate5-NORBORNENE-2-YL ACETATEBicyclo[2.2.1]hept-5-en-2-yl acetateBicyclo[2.2.1]hept-5-en-2-ol, acetate2-bicyclo[2.2.1]hept-5-enyl acetate5-Norbonen-2-yl acetateMFCD00167565

Show more names

5-Norbornen-2-yl acetate, mixture of endo and exoBicyclo[2TIMTEC-BB SBB0084635-Acetoxynorborn-2-ene(endo- and exo- Mixture)norborn-5-en-2-yl acetate5-Norbornene-2-ol acetate

AI3-089885257-37-4NSC 29887NSC128686Acetic acid, 5-norbornen-2-yl esterNSC-128686Bicyclo[2.2.1]hept-5-en-2-ylacetateSY036885

Database identifiers

CAS: 5257-37-4、6143-29-9
PubChem CID: 95688

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 208

Experimental & physicochemical properties

FragrancesFragrance Ingredient (Bicyclo[2.2.1]hept-5-en-2-ol, acetate) -> IFRA transparency List

Physicochemical properties

Boiling point: 73 · 73-76 °C14 mm Hg(lit.)
Density: 1.044 g/mL · 1.044 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.47(lit.)
Flash point: 144 °F · 144 °F
storage temp.: 2 · 2-8°C
form: clear liquid
color: White to Yellow to Green
InChI: InChI=1S/C9H12O2/c1-6(10)11-9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3
InChIKey: DRWRVXAXXGJZIO-UHFFFAOYSA-N
SMILES: C12CC(C=C1)CC2OC(=O)C
CAS DataBase Reference: 6143 · 6143-29-9(CAS DataBase Reference)
EPA Substance Registry System: 2.2 · Bicyclo[2.2.1]hept-5-en-2-ol, acetate (6143-29-9)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (92.9%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29153900
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H227
Precautionary statements: P210e-P280a-P370+P378a-P403+P235-P501a

Chemistry & industry

Uses & manufacturing

Use ClassificationFragrance Ingredients

Applications

Uses5-Norbornen-2-yl acetate (mixture of endo and exo) was used to study the ring opening metathesis polymerization of norbornene catalysed by dinuclear complex Cp*2Os2Br4 (Cp*=pentamethylcyclopentadienyl) and related compounds.