Benzenemethanol,4-(acetyloxy)-a-methyl- 53744-50-6 CAS NO.53744-50-6

Min.Order Quantity:: 1 Gram

Purity:: 99%

Port:: SHANGHAI

Payment Terms:: L/C,T/T,

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Product Details

Keywords

Benzenemethanol,4-(acetyloxy)-a-methyl-
53744-50-6
98%

Quick Details

ProName: Benzenemethanol,4-(acetyloxy)-a-methyl...
CasNo: 53744-50-6
Molecular Formula: C10H12 O3
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

Superiority

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Details

identification and related records
【name】
benzenemethanol,4-(acetyloxy)-a-methyl-
【iupac name】
[4-(1-hydroxyethyl)phenyl] acetate
【cas registry number】
53744-50-6
【synonyms】
benzylalcohol, p-hydroxy-a-methyl-, 4-acetate (6ci)
(p-acetoxyphenyl)methyl carbinol
4-acetoxyphenylmethylcarbinol
【molecular formula】
c10h12 o3 (products with the same molecular formula)
【molecular weight】
180.22
【inchi】
inchi=1/c10h12o3/c1-7(11)9-3-5-10(6-4-9)13-8(2)12/h3-7,11h,1-2h3
【canonical smiles】
cc(c1=cc=c(c=c1)oc(=o)c)o
【mol file】
53744-50-6.mol
chemical and physical properties
【density】
1.139g/cm3
【boiling point】
290.4°cat760mmhg
【refractive index】
1.527
【flash point】
122.4°c
【computed properties】
molecular weight:180.20048 [g/mol]
molecular formula:c10h12o3
xlogp3:1.3
h-bond donor:1
h-bond acceptor:3
rotatable bond count:3
exact mass:180.078644
monoisotopic mass:180.078644
topological polar surface area:46.5
heavy atom count:13
formal charge:0
complexity:171
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:1
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:2
feature 3d donor count:1
feature 3d ring count:1
effective rotor count:3
conformer sampling rmsd:0.6
cid conformer count:25
safety and handling
【hazard codes】
toxic by ingestion. a severe skin irritant.
【safety statements 】
moderately toxic by ingestion. low toxicity by skin contact. a severe skin irritant. when heated to decomposition it emits acrid smoke and irritating vapors.
【safety】
moderately toxic by ingestion. low toxicity by skin contact. a severe skin irritant. when heated to decomposition it emits acrid smoke and irritating vapors.