Benzyl hemiformal
Basic information
- CAS
14548-60-8- Standard SMILES
OCOCc1ccccc1- InChIKey
PETXWIMJICIQTQ-UHFFFAOYSA-N- Molecular formula
- C8H10O2
- Average molar mass
- 138.16 g/mol
- Monoisotopic mass
- 138.06807956
Overview
structure in first source
Names & identifiers
- Preferred name
- Benzyl hemiformal
- IUPAC
- phenylmethoxymethanol
- English name
- (benzyloxy)methanol
- Molecular formula
- C8H10O2
- Molecular weight
- 138.16
Names & synonyms
(Benzyloxy)methanol14548-60-8BenzylhemiformalphenylmethoxymethanolBenzyl hemiformalAKYPO SEPT BXDK482748RDTXSID3042136RefChem:118943DTXCID1022136238-588-8Methanol, (phenylmethoxy)-
Show more names
(phenylmethoxy)-methanolMethanol,1-(phenylMethoxy)-
Methanol, 1-(phenylmethoxy)-METHANOL, (BENZYLOXY)-benzyloxymethanol(Phenylmethoxy)methanolUNII-XDK482748Rbenzyl-hemiformalEINECS 238-588-8SCHEMBL98297
Database identifiers
- CAS
14548-60-8- PubChem CID
- 84520
- DTXSID
DTXSID3042136- UNII
- XDK482748R
- EC Number
- 238-588-8
- Nikkaji
- J241.304C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 77.3
Experimental & physicochemical properties
CosmeticsPreservative
Physicochemical properties
- Boiling point
- 161.7 · 161.7±15.0 °C(Predicted)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- pka
- 13.17 · 13.17±0.10(Predicted)
- Cosmetics Ingredients Functions
- PRESERVATIVE
- LogP
- 1.191 · 1.191 (est)
- FDA UNII
- 482748 R · XDK482748R
- EPA Substance Registry System
- Methanol, (phenylmethoxy)- (14548-60-8)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H302+H312
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302+H312 (89.6%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 655 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Regulatory Information
Chemical: Methanol, (phenylmethoxy)-
(Phenylmethoxy)methanol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Methanol, (phenylmethoxy)-: Environment tier I assessment
Hazard Classes and Categories
Acute Tox. 4 (100%)
Eye irritation - category 2A
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H315-H302+H312
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Preservative
General Manufacturing InformationMethanol, 1-(phenylmethoxy)-: ACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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